REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3ln1_1_D DATA FIRST_RESID 18 DATA SEQUENCE ANPccSNPcQ NRGEcMSTGF DQYKcDcTRT GFYGENcTTP EFLTRIKLLL DATA SEQUENCE KPTPNTVHYI LTHFKGVWNI VNNIPFLRSL IMKYVLTSRS YLIDSPPTYN DATA SEQUENCE VHYGYKSWEA FSNLSYYTRA LPPVADDcPT PMGVKGNKEL PDSKEVLEKV DATA SEQUENCE LLRREFIPDP QGSNMMFAFF AQHFTHQFFK TDHKRGPGFT RGLGHGVDLN DATA SEQUENCE HIYGETLDRQ HKLRLFKDGK LKYQVIGGEV YPPTVKDTQV EMIYPPHIPE DATA SEQUENCE NLQFAVGQEV FGLVPGLMMY ATIWLREHNR VCDILKQEHP EWGDEQLFQT DATA SEQUENCE SRLILIGETI KIVIEDYVQH LSGYHFKLKF DPELLFNQQF QYQNRIASEF DATA SEQUENCE NTLYHWHPLL PDTFNIEDQE YSFKQFLYNN SILLEHGLTQ FVESFTRQIA DATA SEQUENCE GRVAGGRNVP IAVQAVAKAS IDQSREMKYQ SLNEYRKRFS LKPYTSFEEL DATA SEQUENCE TGEKEMAAEL KALYSDIDVM ELYPALLVEK PRPDAIFGET MVELGAPFSL DATA SEQUENCE KGLMGNPICS PQYWKPSTFG GEVGFKIINT ASIQSLIcNN VKGcPFTSFN DATA SEQUENCE VQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 18 A HA 0.000 nan 4.320 nan 0.000 0.244 18 A C 0.000 177.629 177.584 0.075 0.000 1.274 18 A CA 0.000 52.075 52.037 0.063 0.000 0.836 18 A CB 0.000 19.043 19.000 0.072 0.000 0.831 19 N N 2.388 121.123 118.700 0.058 0.000 2.359 19 N HA 0.108 4.848 4.740 0.001 0.000 0.261 19 N C -1.826 173.706 175.510 0.037 0.000 1.267 19 N CA -0.326 52.752 53.050 0.047 0.000 0.864 19 N CB 1.169 39.672 38.487 0.026 0.000 1.063 19 N HN 0.267 nan 8.380 nan 0.000 0.474 20 P HA 0.135 nan 4.420 nan 0.000 0.249 20 P C 0.457 177.738 177.300 -0.032 0.000 1.229 20 P CA 0.168 63.304 63.100 0.061 0.000 0.788 20 P CB 0.027 31.816 31.700 0.148 0.000 1.072 21 c N -1.224 117.341 118.600 -0.058 0.000 2.791 21 c HA 0.116 4.687 4.570 0.001 0.000 0.270 21 c C 2.596 176.605 174.090 -0.136 0.000 1.257 21 c CA -0.053 56.185 56.329 -0.151 0.000 1.699 21 c CB -2.098 40.359 42.510 -0.089 0.000 1.904 21 c HN 0.341 nan 8.230 nan 0.000 0.603 22 c N 1.381 119.931 118.600 -0.084 0.000 2.411 22 c HA -0.107 4.464 4.570 0.001 0.000 0.279 22 c C 2.924 176.965 174.090 -0.082 0.000 1.288 22 c CA 2.041 58.333 56.329 -0.063 0.000 1.764 22 c CB -1.274 41.220 42.510 -0.026 0.000 1.974 22 c HN 0.823 nan 8.230 nan 0.000 0.498 23 S N 0.185 115.818 115.700 -0.111 0.000 2.561 23 S HA -0.036 4.435 4.470 0.001 0.000 0.225 23 S C 0.520 175.043 174.600 -0.130 0.000 0.977 23 S CA 0.787 58.925 58.200 -0.103 0.000 0.926 23 S CB -0.450 62.692 63.200 -0.096 0.000 0.769 23 S HN 0.648 nan 8.310 nan 0.000 0.533 24 N N 0.613 119.212 118.700 -0.168 0.000 2.815 24 N HA -0.077 4.664 4.740 0.001 0.000 0.248 24 N C -2.160 173.229 175.510 -0.201 0.000 1.110 24 N CA 0.920 53.864 53.050 -0.176 0.000 0.699 24 N CB -2.276 36.124 38.487 -0.146 0.000 1.040 24 N HN 0.375 nan 8.380 nan 0.000 0.555 25 P HA -0.107 nan 4.420 nan 0.000 0.216 25 P C 0.356 177.557 177.300 -0.165 0.000 1.154 25 P CA 1.162 64.072 63.100 -0.316 0.000 0.865 25 P CB 0.159 31.349 31.700 -0.851 0.000 0.789 26 c N 1.149 119.659 118.600 -0.149 0.000 2.593 26 c HA 0.305 4.876 4.570 0.001 0.000 0.409 26 c C 0.630 174.658 174.090 -0.104 0.000 1.304 26 c CA -0.635 55.653 56.329 -0.068 0.000 2.007 26 c CB -0.464 42.026 42.510 -0.032 0.000 2.614 26 c HN 0.244 nan 8.230 nan 0.000 0.585 27 Q N 1.547 121.276 119.800 -0.119 0.000 2.306 27 Q HA 0.349 4.690 4.340 0.001 0.000 0.269 27 Q C 0.253 176.100 176.000 -0.255 0.000 1.053 27 Q CA -0.501 55.191 55.803 -0.186 0.000 0.879 27 Q CB 0.697 29.311 28.738 -0.206 0.000 1.344 27 Q HN 0.794 nan 8.270 nan 0.000 0.464 28 N N 1.189 119.703 118.700 -0.309 0.000 2.708 28 N HA -0.240 4.501 4.740 0.001 0.000 0.249 28 N C -0.438 174.963 175.510 -0.181 0.000 1.097 28 N CA 0.982 53.819 53.050 -0.355 0.000 0.710 28 N CB -0.349 37.632 38.487 -0.844 0.000 1.032 28 N HN 0.679 nan 8.380 nan 0.000 0.551 29 R N -4.197 116.226 120.500 -0.128 0.000 3.408 29 R HA -0.101 4.239 4.340 0.001 0.000 0.494 29 R C 0.867 177.151 176.300 -0.027 0.000 0.800 29 R CA 1.047 57.106 56.100 -0.068 0.000 1.331 29 R CB -2.102 28.172 30.300 -0.043 0.000 2.035 29 R HN 0.414 nan 8.270 nan 0.000 0.464 30 G N 1.650 110.429 108.800 -0.036 0.000 2.391 30 G HA2 0.164 4.125 3.960 0.001 0.000 0.234 30 G HA3 0.164 4.125 3.960 0.001 0.000 0.234 30 G C -0.015 174.893 174.900 0.013 0.000 1.284 30 G CA -0.062 45.041 45.100 0.005 0.000 0.873 30 G HN 0.198 nan 8.290 nan 0.000 0.549 31 E N 0.228 120.456 120.200 0.047 0.000 2.197 31 E HA 0.256 4.606 4.350 0.001 0.000 0.281 31 E C -0.498 176.139 176.600 0.062 0.000 0.995 31 E CA -0.583 55.855 56.400 0.064 0.000 0.808 31 E CB 1.793 31.555 29.700 0.104 0.000 1.093 31 E HN 0.401 nan 8.360 nan 0.000 0.394 32 c N 5.037 123.658 118.600 0.035 0.000 2.369 32 c HA 0.552 5.122 4.570 0.001 0.000 0.358 32 c C -0.224 173.904 174.090 0.063 0.000 1.274 32 c CA -0.355 55.995 56.329 0.035 0.000 1.935 32 c CB -0.657 41.814 42.510 -0.065 0.000 2.431 32 c HN 0.791 nan 8.230 nan 0.000 0.545 33 M N 5.854 125.512 119.600 0.097 0.000 2.393 33 M HA 0.427 4.907 4.480 0.001 0.000 0.299 33 M C -0.081 176.272 176.300 0.089 0.000 1.103 33 M CA -0.086 55.259 55.300 0.074 0.000 0.910 33 M CB 2.044 34.680 32.600 0.060 0.000 1.659 33 M HN 0.767 nan 8.290 nan 0.000 0.445 34 S N 2.399 118.127 115.700 0.046 0.000 2.505 34 S HA 0.383 4.854 4.470 0.001 0.000 0.276 34 S C 0.111 174.709 174.600 -0.002 0.000 1.274 34 S CA -0.193 58.031 58.200 0.040 0.000 1.053 34 S CB 0.326 63.523 63.200 -0.005 0.000 0.919 34 S HN 0.732 nan 8.310 nan 0.000 0.490 35 T N 0.019 114.577 114.554 0.006 0.000 3.390 35 T HA 0.666 5.016 4.350 0.001 0.000 0.315 35 T C 0.566 175.239 174.700 -0.045 0.000 1.799 35 T CA -0.157 61.925 62.100 -0.029 0.000 1.553 35 T CB -0.570 68.284 68.868 -0.023 0.000 1.002 35 T HN 1.852 nan 8.240 nan 0.000 0.715 36 G N 1.045 109.784 108.800 -0.102 0.000 2.570 36 G HA2 -0.032 3.928 3.960 0.001 0.000 0.686 36 G HA3 -0.032 3.928 3.960 0.001 0.000 0.686 36 G C -0.171 174.671 174.900 -0.096 0.000 1.257 36 G CA -0.762 44.267 45.100 -0.118 0.000 0.846 36 G HN 0.239 nan 8.290 nan 0.000 0.627 37 F N -0.079 119.882 119.950 0.020 0.000 2.333 37 F HA 0.071 4.599 4.527 0.001 0.000 0.300 37 F C 2.141 177.961 175.800 0.034 0.000 1.083 37 F CA 1.903 59.916 58.000 0.023 0.000 1.395 37 F CB 0.227 39.237 39.000 0.017 0.000 1.056 37 F HN 0.390 nan 8.300 nan 0.000 0.529 38 D N -1.866 118.658 120.400 0.207 0.000 2.514 38 D HA 0.114 4.755 4.640 0.001 0.000 0.225 38 D C 0.236 176.610 176.300 0.124 0.000 1.159 38 D CA 0.239 54.330 54.000 0.151 0.000 0.823 38 D CB 0.317 41.192 40.800 0.126 0.000 1.097 38 D HN 0.231 nan 8.370 nan 0.000 0.519 39 Q N -0.156 119.702 119.800 0.096 0.000 2.378 39 Q HA 0.583 4.924 4.340 0.001 0.000 0.276 39 Q C -0.913 175.156 176.000 0.116 0.000 1.083 39 Q CA -0.966 54.871 55.803 0.057 0.000 0.856 39 Q CB 2.152 30.874 28.738 -0.026 0.000 1.383 39 Q HN 0.141 nan 8.270 nan 0.000 0.458 40 Y N -2.023 118.280 120.300 0.006 0.000 2.644 40 Y HA 0.835 5.385 4.550 0.001 0.000 0.338 40 Y C -1.465 174.436 175.900 0.003 0.000 1.119 40 Y CA -1.349 56.751 58.100 -0.000 0.000 1.060 40 Y CB 1.582 40.042 38.460 0.001 0.000 1.294 40 Y HN 0.574 nan 8.280 nan 0.000 0.472 41 K N 0.883 121.398 120.400 0.193 0.000 2.523 41 K HA 0.742 5.063 4.320 0.001 0.000 0.257 41 K C -2.237 174.490 176.600 0.210 0.000 0.932 41 K CA -0.371 55.972 56.287 0.093 0.000 0.812 41 K CB 1.951 34.460 32.500 0.015 0.000 1.326 41 K HN 0.949 nan 8.250 nan 0.000 0.433 42 c N 2.571 121.279 118.600 0.179 0.000 2.295 42 c HA 0.420 4.991 4.570 0.001 0.000 0.331 42 c C -0.750 173.399 174.090 0.098 0.000 1.280 42 c CA -0.659 55.758 56.329 0.148 0.000 1.746 42 c CB 0.540 43.141 42.510 0.152 0.000 2.328 42 c HN 0.789 nan 8.230 nan 0.000 0.521 43 D N 1.665 122.115 120.400 0.083 0.000 2.313 43 D HA 0.245 4.885 4.640 0.001 0.000 0.239 43 D C 0.231 176.575 176.300 0.073 0.000 1.142 43 D CA -0.263 53.780 54.000 0.071 0.000 0.847 43 D CB 0.885 41.722 40.800 0.062 0.000 1.082 43 D HN 0.656 nan 8.370 nan 0.000 0.480 44 c N 2.643 121.295 118.600 0.086 0.000 2.855 44 c HA 0.157 4.728 4.570 0.001 0.000 0.279 44 c C 0.713 174.864 174.090 0.102 0.000 1.270 44 c CA -0.355 56.037 56.329 0.105 0.000 1.702 44 c CB -1.321 41.279 42.510 0.149 0.000 1.949 44 c HN 0.578 nan 8.230 nan 0.000 0.618 45 T N 2.024 116.624 114.554 0.076 0.000 2.718 45 T HA -0.060 4.291 4.350 0.001 0.000 0.265 45 T C 0.997 175.737 174.700 0.066 0.000 1.014 45 T CA 0.887 63.025 62.100 0.062 0.000 1.172 45 T CB -0.144 68.749 68.868 0.042 0.000 1.007 45 T HN 0.656 nan 8.240 nan 0.000 0.500 46 R N 0.003 120.544 120.500 0.068 0.000 4.000 46 R HA -0.244 4.097 4.340 0.001 0.000 0.362 46 R C 1.785 178.136 176.300 0.085 0.000 1.183 46 R CA 1.347 57.485 56.100 0.062 0.000 1.011 46 R CB -2.288 28.037 30.300 0.042 0.000 1.501 46 R HN 0.942 nan 8.270 nan 0.000 0.553 47 T N -4.564 110.064 114.554 0.124 0.000 2.985 47 T HA 0.178 4.529 4.350 0.001 0.000 0.266 47 T C 1.535 176.404 174.700 0.283 0.000 1.076 47 T CA 1.168 63.375 62.100 0.178 0.000 1.135 47 T CB 0.570 69.546 68.868 0.180 0.000 0.890 47 T HN 0.683 nan 8.240 nan 0.000 0.480 48 G N 0.557 109.483 108.800 0.210 0.000 2.176 48 G HA2 -0.119 3.842 3.960 0.001 0.000 0.232 48 G HA3 -0.119 3.842 3.960 0.001 0.000 0.232 48 G C -0.148 174.704 174.900 -0.081 0.000 0.986 48 G CA -0.099 45.043 45.100 0.070 0.000 0.643 48 G HN 0.543 nan 8.290 nan 0.000 0.522 49 F N -0.265 119.716 119.950 0.052 0.000 2.620 49 F HA 0.817 5.345 4.527 0.001 0.000 0.320 49 F C 0.331 176.195 175.800 0.107 0.000 1.069 49 F CA -1.285 56.719 58.000 0.006 0.000 0.953 49 F CB 1.326 40.294 39.000 -0.054 0.000 1.322 49 F HN 0.242 nan 8.300 nan 0.000 0.479 50 Y N -1.071 119.352 120.300 0.206 0.000 2.857 50 Y HA 0.954 5.505 4.550 0.001 0.000 0.318 50 Y C 0.114 176.085 175.900 0.119 0.000 1.313 50 Y CA -1.773 56.404 58.100 0.127 0.000 1.117 50 Y CB 1.019 39.523 38.460 0.073 0.000 1.344 50 Y HN 1.031 nan 8.280 nan 0.000 0.525 51 G N 0.036 109.009 108.800 0.288 0.000 2.612 51 G HA2 -0.194 3.767 3.960 0.001 0.000 0.686 51 G HA3 -0.194 3.767 3.960 0.001 0.000 0.686 51 G C 0.139 175.107 174.900 0.113 0.000 1.274 51 G CA -0.142 45.051 45.100 0.155 0.000 0.849 51 G HN 1.089 nan 8.290 nan 0.000 0.595 52 E N -0.391 119.857 120.200 0.079 0.000 2.171 52 E HA -0.162 4.189 4.350 0.001 0.000 0.197 52 E C 1.344 178.011 176.600 0.112 0.000 0.997 52 E CA 1.546 57.981 56.400 0.058 0.000 0.810 52 E CB -0.058 29.654 29.700 0.021 0.000 0.738 52 E HN 0.395 nan 8.360 nan 0.000 0.467 53 N N -1.042 117.718 118.700 0.101 0.000 2.197 53 N HA 0.076 4.817 4.740 0.001 0.000 0.228 53 N C -0.602 174.924 175.510 0.028 0.000 1.212 53 N CA 0.366 53.474 53.050 0.096 0.000 0.883 53 N CB 0.721 39.253 38.487 0.076 0.000 1.107 53 N HN 0.092 nan 8.380 nan 0.000 0.519 54 c N 0.985 119.613 118.600 0.048 0.000 4.300 54 c HA -0.116 4.454 4.570 0.001 0.000 0.304 54 c C 1.741 175.796 174.090 -0.057 0.000 1.367 54 c CA 1.145 57.497 56.329 0.039 0.000 2.032 54 c CB -3.093 39.420 42.510 0.006 0.000 1.285 54 c HN 0.577 nan 8.230 nan 0.000 0.737 55 T N -4.961 109.592 114.554 -0.001 0.000 2.985 55 T HA 0.163 4.514 4.350 0.001 0.000 0.254 55 T C 0.336 175.133 174.700 0.161 0.000 1.021 55 T CA 0.586 62.687 62.100 0.002 0.000 0.957 55 T CB 0.222 69.075 68.868 -0.026 0.000 1.047 55 T HN 0.540 nan 8.240 nan 0.000 0.511 56 T N 5.692 120.252 114.554 0.011 0.000 2.728 56 T HA 0.414 4.765 4.350 0.001 0.000 0.296 56 T C -2.687 171.786 174.700 -0.378 0.000 0.940 56 T CA -1.230 60.729 62.100 -0.235 0.000 1.013 56 T CB 1.247 69.775 68.868 -0.566 0.000 0.912 56 T HN 0.202 nan 8.240 nan 0.000 0.484 57 P HA 0.263 nan 4.420 nan 0.000 0.278 57 P C -0.211 176.885 177.300 -0.340 0.000 1.238 57 P CA -0.511 62.197 63.100 -0.653 0.000 0.794 57 P CB 1.038 32.422 31.700 -0.528 0.000 0.955 58 E N 0.847 120.901 120.200 -0.243 0.000 2.374 58 E HA 0.060 4.410 4.350 0.001 0.000 0.260 58 E C 0.772 177.385 176.600 0.021 0.000 1.101 58 E CA -0.415 56.026 56.400 0.068 0.000 0.907 58 E CB 0.191 29.945 29.700 0.089 0.000 1.014 58 E HN 0.357 nan 8.360 nan 0.000 0.427 59 F N 2.418 122.359 119.950 -0.016 0.000 2.043 59 F HA -0.273 4.255 4.527 0.001 0.000 0.297 59 F C 1.799 177.564 175.800 -0.059 0.000 1.118 59 F CA 1.717 59.697 58.000 -0.034 0.000 1.202 59 F CB -0.379 38.613 39.000 -0.013 0.000 0.965 59 F HN 0.485 nan 8.300 nan 0.000 0.482 60 L N 0.232 121.334 121.223 -0.202 0.000 2.127 60 L HA -0.175 4.166 4.340 0.001 0.000 0.211 60 L C 2.086 178.781 176.870 -0.290 0.000 1.089 60 L CA 2.531 57.184 54.840 -0.312 0.000 0.757 60 L CB -1.425 40.561 42.059 -0.121 0.000 0.899 60 L HN 0.259 nan 8.230 nan 0.000 0.434 61 T N -0.220 114.182 114.554 -0.252 0.000 2.904 61 T HA -0.100 4.251 4.350 0.001 0.000 0.267 61 T C 1.858 176.397 174.700 -0.268 0.000 1.059 61 T CA 1.427 63.356 62.100 -0.285 0.000 1.137 61 T CB -0.149 68.436 68.868 -0.472 0.000 0.879 61 T HN 0.476 nan 8.240 nan 0.000 0.467 62 R N 0.470 120.808 120.500 -0.269 0.000 2.090 62 R HA 0.055 4.396 4.340 0.001 0.000 0.228 62 R C 2.155 178.336 176.300 -0.198 0.000 1.110 62 R CA 0.907 56.888 56.100 -0.199 0.000 0.973 62 R CB -0.641 29.573 30.300 -0.143 0.000 0.869 62 R HN 0.301 nan 8.270 nan 0.000 0.440 63 I N 1.946 122.338 120.570 -0.296 0.000 2.099 63 I HA -0.297 3.874 4.170 0.001 0.000 0.239 63 I C 2.228 178.250 176.117 -0.159 0.000 1.066 63 I CA 1.713 62.866 61.300 -0.245 0.000 1.324 63 I CB -0.345 37.466 38.000 -0.314 0.000 1.037 63 I HN 0.044 nan 8.210 nan 0.000 0.401 64 K N 0.148 120.452 120.400 -0.160 0.000 2.074 64 K HA -0.152 4.169 4.320 0.001 0.000 0.209 64 K C 2.033 178.588 176.600 -0.075 0.000 1.048 64 K CA 1.360 57.581 56.287 -0.111 0.000 0.926 64 K CB -0.417 32.013 32.500 -0.117 0.000 0.713 64 K HN 0.309 nan 8.250 nan 0.000 0.444 65 L N 0.470 121.647 121.223 -0.076 0.000 2.456 65 L HA -0.130 4.210 4.340 0.001 0.000 0.224 65 L C 1.690 178.544 176.870 -0.028 0.000 1.148 65 L CA 0.367 55.188 54.840 -0.031 0.000 0.825 65 L CB -0.088 41.961 42.059 -0.017 0.000 0.937 65 L HN 0.141 nan 8.230 nan 0.000 0.450 66 L N -1.422 119.772 121.223 -0.048 0.000 2.470 66 L HA 0.027 4.368 4.340 0.001 0.000 0.219 66 L C 1.375 178.223 176.870 -0.036 0.000 1.071 66 L CA 0.865 55.683 54.840 -0.038 0.000 0.850 66 L CB 0.003 42.035 42.059 -0.045 0.000 1.040 66 L HN 0.087 nan 8.230 nan 0.000 0.475 67 L N -0.461 120.735 121.223 -0.046 0.000 2.653 67 L HA 0.185 4.526 4.340 0.001 0.000 0.232 67 L C 0.649 177.504 176.870 -0.026 0.000 1.169 67 L CA 0.365 55.180 54.840 -0.041 0.000 0.951 67 L CB -0.815 41.212 42.059 -0.054 0.000 1.181 67 L HN 0.027 nan 8.230 nan 0.000 0.460 68 K N 2.279 122.672 120.400 -0.013 0.000 2.367 68 K HA 0.394 4.715 4.320 0.001 0.000 0.263 68 K C -2.341 174.274 176.600 0.024 0.000 1.000 68 K CA -1.524 54.769 56.287 0.011 0.000 0.891 68 K CB 1.381 33.891 32.500 0.016 0.000 1.117 68 K HN -0.079 nan 8.250 nan 0.000 0.443 69 P HA 0.036 nan 4.420 nan 0.000 0.275 69 P C -0.327 177.011 177.300 0.064 0.000 1.228 69 P CA -0.279 62.847 63.100 0.043 0.000 0.786 69 P CB 0.778 32.508 31.700 0.050 0.000 0.927 70 T N -0.751 113.838 114.554 0.058 0.000 2.898 70 T HA 0.156 4.507 4.350 0.001 0.000 0.301 70 T C -1.754 173.003 174.700 0.097 0.000 1.049 70 T CA -1.228 60.912 62.100 0.066 0.000 1.095 70 T CB -0.012 68.885 68.868 0.048 0.000 0.976 70 T HN 0.171 nan 8.240 nan 0.000 0.539 71 P HA -0.065 nan 4.420 nan 0.000 0.218 71 P C 1.408 178.804 177.300 0.160 0.000 1.148 71 P CA 0.797 63.974 63.100 0.128 0.000 0.822 71 P CB 0.003 31.762 31.700 0.098 0.000 0.784 72 N N -1.438 117.342 118.700 0.132 0.000 2.244 72 N HA -0.071 4.670 4.740 0.001 0.000 0.183 72 N C 1.591 177.228 175.510 0.211 0.000 1.016 72 N CA 1.308 54.457 53.050 0.166 0.000 0.866 72 N CB -0.844 37.711 38.487 0.112 0.000 0.980 72 N HN 0.164 nan 8.380 nan 0.000 0.430 73 T N 0.939 115.586 114.554 0.155 0.000 2.701 73 T HA -0.031 4.320 4.350 0.001 0.000 0.263 73 T C 2.211 177.051 174.700 0.233 0.000 1.040 73 T CA 0.816 63.008 62.100 0.153 0.000 1.147 73 T CB -0.307 68.611 68.868 0.084 0.000 0.865 73 T HN -0.063 nan 8.240 nan 0.000 0.426 74 V N 1.507 121.540 119.914 0.200 0.000 2.287 74 V HA -0.245 3.875 4.120 0.001 0.000 0.248 74 V C 2.386 178.600 176.094 0.201 0.000 1.053 74 V CA 1.887 64.302 62.300 0.191 0.000 1.027 74 V CB -0.787 31.145 31.823 0.182 0.000 0.646 74 V HN 0.650 nan 8.190 nan 0.000 0.447 75 H N -1.271 117.893 119.070 0.157 0.000 2.352 75 H HA -0.265 4.292 4.556 0.001 0.000 0.299 75 H C 2.313 177.763 175.328 0.203 0.000 1.097 75 H CA 2.454 58.596 56.048 0.157 0.000 1.311 75 H CB -0.118 29.764 29.762 0.199 0.000 1.377 75 H HN 0.555 nan 8.280 nan 0.000 0.504 76 Y N 1.202 121.599 120.300 0.162 0.000 2.165 76 Y HA -0.189 4.362 4.550 0.001 0.000 0.286 76 Y C 2.552 178.631 175.900 0.297 0.000 1.155 76 Y CA 1.844 60.055 58.100 0.185 0.000 1.164 76 Y CB -0.389 38.131 38.460 0.100 0.000 0.978 76 Y HN 0.141 nan 8.280 nan 0.000 0.513 77 I N -0.730 120.079 120.570 0.399 0.000 2.439 77 I HA -0.244 3.927 4.170 0.001 0.000 0.251 77 I C 1.678 178.092 176.117 0.494 0.000 1.139 77 I CA 0.440 62.046 61.300 0.510 0.000 1.438 77 I CB -0.294 37.927 38.000 0.369 0.000 1.085 77 I HN 0.245 nan 8.210 nan 0.000 0.427 78 L N 0.523 121.778 121.223 0.053 0.000 2.291 78 L HA -0.074 4.267 4.340 0.001 0.000 0.214 78 L C 2.276 178.902 176.870 -0.408 0.000 1.120 78 L CA 1.917 56.501 54.840 -0.425 0.000 0.799 78 L CB -1.372 40.015 42.059 -1.121 0.000 0.925 78 L HN 0.398 nan 8.230 nan 0.000 0.446 79 T N -5.387 109.010 114.554 -0.261 0.000 3.129 79 T HA 0.234 4.584 4.350 0.001 0.000 0.267 79 T C 0.480 174.925 174.700 -0.424 0.000 1.018 79 T CA -0.262 61.546 62.100 -0.488 0.000 0.903 79 T CB 0.044 68.550 68.868 -0.604 0.000 1.067 79 T HN 0.198 nan 8.240 nan 0.000 0.549 80 H N -0.561 118.519 119.070 0.018 0.000 3.024 80 H HA 0.612 5.169 4.556 0.001 0.000 0.305 80 H C -0.505 175.002 175.328 0.299 0.000 1.506 80 H CA -1.764 54.235 56.048 -0.082 0.000 1.324 80 H CB 0.284 29.545 29.762 -0.835 0.000 1.925 80 H HN 0.026 nan 8.280 nan 0.000 0.661 81 F N -0.597 119.501 119.950 0.246 0.000 3.067 81 F HA -0.269 4.259 4.527 0.001 0.000 0.279 81 F C 1.644 177.499 175.800 0.092 0.000 0.945 81 F CA 0.730 58.790 58.000 0.100 0.000 0.948 81 F CB -1.182 37.809 39.000 -0.014 0.000 0.898 81 F HN 0.514 nan 8.300 nan 0.000 0.746 82 K N 1.059 121.479 120.400 0.034 0.000 2.173 82 K HA -0.167 4.153 4.320 0.001 0.000 0.207 82 K C 2.223 178.816 176.600 -0.012 0.000 1.046 82 K CA 1.783 57.931 56.287 -0.232 0.000 0.929 82 K CB -0.525 31.655 32.500 -0.532 0.000 0.720 82 K HN 0.580 nan 8.250 nan 0.000 0.453 83 G N -0.009 108.801 108.800 0.017 0.000 2.402 83 G HA2 -0.175 3.786 3.960 0.001 0.000 0.216 83 G HA3 -0.175 3.786 3.960 0.001 0.000 0.216 83 G C 1.435 176.348 174.900 0.021 0.000 1.162 83 G CA 0.817 45.929 45.100 0.020 0.000 0.777 83 G HN 0.199 nan 8.290 nan 0.000 0.539 84 V N -0.309 119.596 119.914 -0.015 0.000 2.343 84 V HA -0.160 3.961 4.120 0.001 0.000 0.247 84 V C 2.424 178.434 176.094 -0.141 0.000 1.051 84 V CA 1.628 63.837 62.300 -0.152 0.000 1.036 84 V CB -0.751 30.863 31.823 -0.349 0.000 0.654 84 V HN 0.585 nan 8.190 nan 0.000 0.451 85 W N 0.283 121.631 121.300 0.080 0.000 2.374 85 W HA -0.138 4.523 4.660 0.001 0.000 0.288 85 W C 2.420 178.998 176.519 0.099 0.000 1.218 85 W CA 1.268 58.686 57.345 0.122 0.000 1.245 85 W CB -0.526 29.049 29.460 0.191 0.000 1.126 85 W HN 0.254 nan 8.180 nan 0.000 0.545 86 N N 0.493 119.340 118.700 0.245 0.000 2.223 86 N HA -0.159 4.581 4.740 0.001 0.000 0.185 86 N C 1.481 177.061 175.510 0.117 0.000 1.016 86 N CA 1.502 54.641 53.050 0.149 0.000 0.863 86 N CB -0.240 38.295 38.487 0.080 0.000 0.983 86 N HN 0.070 nan 8.380 nan 0.000 0.429 87 I N -1.003 119.619 120.570 0.086 0.000 2.333 87 I HA -0.151 4.019 4.170 0.001 0.000 0.246 87 I C 1.816 177.983 176.117 0.083 0.000 1.106 87 I CA 0.435 61.770 61.300 0.058 0.000 1.411 87 I CB -0.073 37.933 38.000 0.010 0.000 1.082 87 I HN -0.006 nan 8.210 nan 0.000 0.420 88 V N 1.373 121.349 119.914 0.104 0.000 2.343 88 V HA -0.274 3.847 4.120 0.001 0.000 0.247 88 V C 2.001 178.237 176.094 0.237 0.000 1.051 88 V CA 1.797 64.191 62.300 0.155 0.000 1.036 88 V CB -0.838 31.108 31.823 0.205 0.000 0.654 88 V HN 0.460 nan 8.190 nan 0.000 0.451 89 N N 0.809 119.675 118.700 0.276 0.000 2.443 89 N HA -0.107 4.634 4.740 0.001 0.000 0.184 89 N C 1.251 176.838 175.510 0.129 0.000 1.037 89 N CA 0.941 54.114 53.050 0.205 0.000 0.896 89 N CB -0.319 38.266 38.487 0.163 0.000 0.959 89 N HN 0.529 nan 8.380 nan 0.000 0.442 90 N N -0.047 118.724 118.700 0.119 0.000 2.184 90 N HA 0.186 4.927 4.740 0.001 0.000 0.206 90 N C -0.274 175.293 175.510 0.094 0.000 1.151 90 N CA -0.000 53.104 53.050 0.090 0.000 0.878 90 N CB 1.376 39.907 38.487 0.073 0.000 1.014 90 N HN 0.197 nan 8.380 nan 0.000 0.512 91 I N 2.175 122.811 120.570 0.109 0.000 2.361 91 I HA 0.212 4.383 4.170 0.001 0.000 0.282 91 I C -1.538 174.664 176.117 0.141 0.000 1.075 91 I CA -1.884 59.492 61.300 0.126 0.000 1.205 91 I CB 1.829 39.903 38.000 0.124 0.000 1.406 91 I HN -0.322 nan 8.210 nan 0.000 0.481 92 P HA -0.262 nan 4.420 nan 0.000 0.217 92 P C 1.528 178.937 177.300 0.181 0.000 1.151 92 P CA 1.598 64.787 63.100 0.148 0.000 0.849 92 P CB 0.050 31.832 31.700 0.137 0.000 0.787 93 F N -1.050 118.946 119.950 0.076 0.000 2.367 93 F HA 0.011 4.538 4.527 0.001 0.000 0.298 93 F C 1.779 177.628 175.800 0.081 0.000 1.094 93 F CA 0.957 59.000 58.000 0.071 0.000 1.409 93 F CB -0.818 38.214 39.000 0.054 0.000 1.064 93 F HN -0.221 nan 8.300 nan 0.000 0.528 94 L N 0.181 121.154 121.223 -0.417 0.000 2.127 94 L HA -0.021 4.320 4.340 0.001 0.000 0.203 94 L C 2.832 179.638 176.870 -0.107 0.000 1.080 94 L CA 0.977 55.548 54.840 -0.449 0.000 0.768 94 L CB -0.516 41.413 42.059 -0.216 0.000 0.924 94 L HN 0.077 nan 8.230 nan 0.000 0.444 95 R N -0.544 120.011 120.500 0.092 0.000 2.105 95 R HA -0.184 4.157 4.340 0.001 0.000 0.239 95 R C 2.303 178.759 176.300 0.260 0.000 1.135 95 R CA 1.906 58.196 56.100 0.317 0.000 0.967 95 R CB -0.087 30.359 30.300 0.243 0.000 0.861 95 R HN 0.227 nan 8.270 nan 0.000 0.442 96 S N 0.798 116.567 115.700 0.114 0.000 2.368 96 S HA -0.094 4.376 4.470 0.001 0.000 0.224 96 S C 1.765 176.398 174.600 0.055 0.000 1.029 96 S CA 0.938 59.196 58.200 0.096 0.000 0.988 96 S CB -0.162 63.096 63.200 0.095 0.000 0.838 96 S HN 0.363 nan 8.310 nan 0.000 0.462 97 L N 1.108 122.297 121.223 -0.057 0.000 2.141 97 L HA -0.077 4.264 4.340 0.001 0.000 0.209 97 L C 1.744 178.602 176.870 -0.021 0.000 1.094 97 L CA 1.045 55.837 54.840 -0.080 0.000 0.763 97 L CB -0.184 41.715 42.059 -0.267 0.000 0.908 97 L HN 0.279 nan 8.230 nan 0.000 0.437 98 I N -0.945 119.604 120.570 -0.036 0.000 2.333 98 I HA -0.244 3.927 4.170 0.001 0.000 0.246 98 I C 2.432 178.571 176.117 0.036 0.000 1.106 98 I CA 1.166 62.398 61.300 -0.112 0.000 1.411 98 I CB -0.829 36.859 38.000 -0.520 0.000 1.082 98 I HN 0.382 nan 8.210 nan 0.000 0.420 99 M N 1.446 121.186 119.600 0.232 0.000 2.159 99 M HA -0.208 4.273 4.480 0.001 0.000 0.263 99 M C 2.213 178.602 176.300 0.148 0.000 1.063 99 M CA 1.779 57.267 55.300 0.314 0.000 1.110 99 M CB -0.583 32.216 32.600 0.331 0.000 1.374 99 M HN 0.103 nan 8.290 nan 0.000 0.411 100 K N -1.341 119.124 120.400 0.107 0.000 2.097 100 K HA -0.249 4.072 4.320 0.001 0.000 0.206 100 K C 2.112 178.757 176.600 0.075 0.000 1.049 100 K CA 1.744 58.066 56.287 0.058 0.000 0.933 100 K CB -0.581 31.952 32.500 0.056 0.000 0.717 100 K HN 0.513 nan 8.250 nan 0.000 0.442 101 Y N 1.158 121.456 120.300 -0.002 0.000 2.220 101 Y HA -0.158 4.393 4.550 0.001 0.000 0.291 101 Y C 1.903 177.818 175.900 0.025 0.000 1.129 101 Y CA 1.415 59.514 58.100 -0.002 0.000 1.161 101 Y CB -0.297 38.143 38.460 -0.033 0.000 0.997 101 Y HN -0.017 nan 8.280 nan 0.000 0.522 102 V N -0.966 118.861 119.914 -0.145 0.000 2.427 102 V HA -0.182 3.939 4.120 0.001 0.000 0.248 102 V C 2.012 178.028 176.094 -0.131 0.000 1.051 102 V CA 1.700 63.883 62.300 -0.195 0.000 1.048 102 V CB -0.912 30.960 31.823 0.082 0.000 0.666 102 V HN 0.374 nan 8.190 nan 0.000 0.456 103 L N 2.029 123.215 121.223 -0.062 0.000 1.994 103 L HA -0.081 4.260 4.340 0.001 0.000 0.208 103 L C 3.026 179.855 176.870 -0.069 0.000 1.071 103 L CA 2.959 57.763 54.840 -0.060 0.000 0.745 103 L CB -1.510 40.496 42.059 -0.088 0.000 0.892 103 L HN 0.718 nan 8.230 nan 0.000 0.431 104 T N -4.108 110.400 114.554 -0.077 0.000 2.942 104 T HA -0.092 4.259 4.350 0.001 0.000 0.265 104 T C 2.015 176.710 174.700 -0.007 0.000 1.062 104 T CA 0.924 63.015 62.100 -0.014 0.000 1.139 104 T CB -0.656 68.222 68.868 0.017 0.000 0.883 104 T HN 0.371 nan 8.240 nan 0.000 0.468 105 S N 1.755 117.362 115.700 -0.156 0.000 2.400 105 S HA -0.105 4.365 4.470 0.001 0.000 0.232 105 S C 2.186 176.852 174.600 0.109 0.000 1.025 105 S CA 0.819 58.953 58.200 -0.111 0.000 0.993 105 S CB -0.425 62.480 63.200 -0.491 0.000 0.808 105 S HN 0.412 nan 8.310 nan 0.000 0.478 106 R N 0.838 121.344 120.500 0.010 0.000 2.161 106 R HA 0.288 4.629 4.340 0.001 0.000 0.213 106 R C 2.646 178.912 176.300 -0.056 0.000 1.055 106 R CA 0.813 56.899 56.100 -0.023 0.000 0.996 106 R CB -0.654 29.619 30.300 -0.045 0.000 0.901 106 R HN 0.406 nan 8.270 nan 0.000 0.456 107 S N 0.166 115.901 115.700 0.058 0.000 2.381 107 S HA -0.272 4.199 4.470 0.001 0.000 0.230 107 S C 1.598 176.194 174.600 -0.008 0.000 1.052 107 S CA 1.989 60.233 58.200 0.074 0.000 1.068 107 S CB -0.429 62.876 63.200 0.176 0.000 0.918 107 S HN 0.621 nan 8.310 nan 0.000 0.448 108 Y N -0.002 120.273 120.300 -0.042 0.000 2.651 108 Y HA 0.117 4.668 4.550 0.001 0.000 0.296 108 Y C 1.421 177.253 175.900 -0.113 0.000 1.150 108 Y CA 0.352 58.414 58.100 -0.063 0.000 1.348 108 Y CB -0.176 38.258 38.460 -0.043 0.000 0.983 108 Y HN 0.139 nan 8.280 nan 0.000 0.555 109 L N 0.956 121.719 121.223 -0.766 0.000 2.558 109 L HA 0.190 4.530 4.340 0.001 0.000 0.225 109 L C 0.084 176.631 176.870 -0.539 0.000 1.128 109 L CA 0.123 54.470 54.840 -0.821 0.000 0.868 109 L CB -0.449 41.143 42.059 -0.778 0.000 1.006 109 L HN 0.284 nan 8.230 nan 0.000 0.454 110 I N -0.073 120.295 120.570 -0.337 0.000 2.433 110 I HA 0.240 4.411 4.170 0.001 0.000 0.292 110 I C -0.383 175.646 176.117 -0.147 0.000 1.001 110 I CA -0.985 60.184 61.300 -0.219 0.000 1.119 110 I CB 1.684 39.590 38.000 -0.156 0.000 1.289 110 I HN -0.120 nan 8.210 nan 0.000 0.438 111 D N 4.112 124.450 120.400 -0.103 0.000 2.343 111 D HA 0.255 4.896 4.640 0.001 0.000 0.255 111 D C 0.065 176.310 176.300 -0.093 0.000 1.187 111 D CA 0.445 54.388 54.000 -0.095 0.000 0.875 111 D CB 1.164 41.909 40.800 -0.092 0.000 1.136 111 D HN 0.396 nan 8.370 nan 0.000 0.469 112 S N 2.546 118.180 115.700 -0.110 0.000 2.706 112 S HA 0.391 4.861 4.470 0.001 0.000 0.270 112 S C -2.764 171.768 174.600 -0.113 0.000 1.163 112 S CA -1.258 56.871 58.200 -0.118 0.000 1.042 112 S CB 0.787 63.884 63.200 -0.171 0.000 1.079 112 S HN 0.008 nan 8.310 nan 0.000 0.474 113 P HA 0.213 nan 4.420 nan 0.000 0.266 113 P C -2.517 174.748 177.300 -0.058 0.000 1.193 113 P CA -0.688 62.389 63.100 -0.037 0.000 0.770 113 P CB -0.123 31.558 31.700 -0.031 0.000 0.836 114 P HA 0.009 nan 4.420 nan 0.000 0.272 114 P C 0.181 177.409 177.300 -0.121 0.000 1.230 114 P CA 0.054 63.103 63.100 -0.084 0.000 0.788 114 P CB 0.712 32.342 31.700 -0.116 0.000 0.949 115 T N -1.413 113.022 114.554 -0.198 0.000 3.518 115 T HA 0.193 4.544 4.350 0.001 0.000 0.211 115 T C 0.576 175.065 174.700 -0.351 0.000 0.940 115 T CA 0.181 62.049 62.100 -0.387 0.000 1.307 115 T CB -0.753 67.695 68.868 -0.700 0.000 1.392 115 T HN 0.265 nan 8.240 nan 0.000 0.382 116 Y N 3.314 123.566 120.300 -0.081 0.000 2.392 116 Y HA 0.638 5.189 4.550 0.001 0.000 0.323 116 Y C 0.727 176.551 175.900 -0.127 0.000 1.291 116 Y CA -0.650 57.391 58.100 -0.099 0.000 1.345 116 Y CB 0.730 39.152 38.460 -0.064 0.000 1.320 116 Y HN 0.750 nan 8.280 nan 0.000 0.518 117 N N -2.800 115.919 118.700 0.032 0.000 3.243 117 N HA 0.105 4.846 4.740 0.001 0.000 0.280 117 N C -0.308 175.139 175.510 -0.106 0.000 1.545 117 N CA -0.685 52.299 53.050 -0.109 0.000 0.854 117 N CB 0.525 38.774 38.487 -0.397 0.000 1.612 117 N HN 0.422 nan 8.380 nan 0.000 0.577 118 V N -0.164 119.662 119.914 -0.148 0.000 2.453 118 V HA -0.226 3.895 4.120 0.001 0.000 0.252 118 V C 1.122 177.194 176.094 -0.038 0.000 1.068 118 V CA 2.079 64.323 62.300 -0.092 0.000 1.070 118 V CB -0.912 30.814 31.823 -0.162 0.000 0.664 118 V HN 0.719 nan 8.190 nan 0.000 0.461 119 H N -3.264 115.719 119.070 -0.146 0.000 2.622 119 H HA 0.243 4.800 4.556 0.001 0.000 0.269 119 H C -0.544 174.391 175.328 -0.655 0.000 0.977 119 H CA -0.124 55.738 56.048 -0.310 0.000 1.179 119 H CB 0.460 30.054 29.762 -0.280 0.000 1.458 119 H HN 0.473 nan 8.280 nan 0.000 0.531 120 Y N -0.269 119.954 120.300 -0.129 0.000 2.326 120 Y HA 0.319 4.870 4.550 0.001 0.000 0.329 120 Y C 0.815 176.609 175.900 -0.176 0.000 0.973 120 Y CA -0.812 57.108 58.100 -0.300 0.000 1.162 120 Y CB 2.022 40.230 38.460 -0.420 0.000 1.147 120 Y HN 0.062 nan 8.280 nan 0.000 0.456 121 G N 2.379 111.137 108.800 -0.071 0.000 3.233 121 G HA2 0.146 4.106 3.960 0.001 0.000 0.234 121 G HA3 0.146 4.106 3.960 0.001 0.000 0.234 121 G C -0.549 174.466 174.900 0.191 0.000 1.137 121 G CA 0.144 45.222 45.100 -0.037 0.000 0.763 121 G HN 0.570 nan 8.290 nan 0.000 0.549 122 Y N -1.934 118.581 120.300 0.357 0.000 2.553 122 Y HA 0.702 5.253 4.550 0.001 0.000 0.347 122 Y C -0.189 175.885 175.900 0.289 0.000 1.019 122 Y CA -2.170 56.153 58.100 0.372 0.000 1.032 122 Y CB 1.006 39.591 38.460 0.208 0.000 1.284 122 Y HN -0.229 nan 8.280 nan 0.000 0.466 123 K N 2.178 122.699 120.400 0.202 0.000 2.448 123 K HA 0.436 4.756 4.320 0.001 0.000 0.278 123 K C -0.302 176.339 176.600 0.069 0.000 1.009 123 K CA 0.391 56.658 56.287 -0.033 0.000 0.995 123 K CB 0.477 32.923 32.500 -0.090 0.000 0.917 123 K HN 0.899 nan 8.250 nan 0.000 0.481 124 S N 1.033 116.667 115.700 -0.110 0.000 2.607 124 S HA 0.211 4.681 4.470 0.001 0.000 0.273 124 S C 0.048 174.608 174.600 -0.066 0.000 1.148 124 S CA -1.129 57.032 58.200 -0.064 0.000 0.833 124 S CB 0.676 63.682 63.200 -0.325 0.000 1.130 124 S HN 0.884 nan 8.310 nan 0.000 0.470 125 W N 1.087 122.336 121.300 -0.085 0.000 2.425 125 W HA -0.062 4.599 4.660 0.001 0.000 0.277 125 W C 1.485 177.984 176.519 -0.034 0.000 1.231 125 W CA 2.084 59.426 57.345 -0.006 0.000 1.248 125 W CB -0.072 29.400 29.460 0.019 0.000 1.117 125 W HN 1.033 nan 8.180 nan 0.000 0.568 126 E N 0.895 121.030 120.200 -0.108 0.000 2.072 126 E HA -0.144 4.207 4.350 0.001 0.000 0.191 126 E C 2.233 178.612 176.600 -0.369 0.000 0.985 126 E CA 2.299 58.581 56.400 -0.197 0.000 0.801 126 E CB -0.649 28.892 29.700 -0.266 0.000 0.750 126 E HN 0.075 nan 8.360 nan 0.000 0.452 127 A N -0.068 122.399 122.820 -0.588 0.000 1.898 127 A HA -0.096 4.224 4.320 0.001 0.000 0.216 127 A C 2.205 179.565 177.584 -0.374 0.000 1.181 127 A CA 1.384 53.113 52.037 -0.512 0.000 0.620 127 A CB -0.959 17.756 19.000 -0.474 0.000 0.819 127 A HN 0.482 nan 8.150 nan 0.000 0.442 128 F N 2.008 121.644 119.950 -0.523 0.000 2.146 128 F HA -0.154 4.374 4.527 0.001 0.000 0.298 128 F C 2.499 177.960 175.800 -0.564 0.000 1.096 128 F CA 2.108 59.767 58.000 -0.568 0.000 1.275 128 F CB -0.258 38.294 39.000 -0.746 0.000 1.008 128 F HN 0.276 nan 8.300 nan 0.000 0.480 129 S N -0.899 114.301 115.700 -0.834 0.000 2.478 129 S HA 0.020 4.491 4.470 0.001 0.000 0.222 129 S C 0.856 175.224 174.600 -0.388 0.000 1.008 129 S CA -0.079 57.661 58.200 -0.766 0.000 0.928 129 S CB -0.690 62.247 63.200 -0.438 0.000 0.781 129 S HN 0.363 nan 8.310 nan 0.000 0.518 130 N N 1.954 120.526 118.700 -0.214 0.000 2.439 130 N HA 0.255 4.995 4.740 0.001 0.000 0.243 130 N C 0.409 175.926 175.510 0.011 0.000 1.088 130 N CA -0.154 52.902 53.050 0.010 0.000 0.940 130 N CB 0.538 39.188 38.487 0.272 0.000 1.180 130 N HN 0.359 nan 8.380 nan 0.000 0.505 131 L N 1.705 122.907 121.223 -0.035 0.000 2.551 131 L HA -0.011 4.330 4.340 0.001 0.000 0.228 131 L C 1.665 178.617 176.870 0.137 0.000 1.153 131 L CA 0.353 55.202 54.840 0.015 0.000 0.851 131 L CB -0.009 42.048 42.059 -0.002 0.000 0.959 131 L HN 0.417 nan 8.230 nan 0.000 0.451 132 S N -1.571 114.160 115.700 0.052 0.000 2.527 132 S HA 0.030 4.500 4.470 0.001 0.000 0.222 132 S C 0.329 174.901 174.600 -0.047 0.000 0.985 132 S CA 0.158 58.350 58.200 -0.013 0.000 0.921 132 S CB -0.097 63.086 63.200 -0.027 0.000 0.772 132 S HN 0.230 nan 8.310 nan 0.000 0.529 133 Y N 0.570 120.842 120.300 -0.048 0.000 2.310 133 Y HA 0.327 4.877 4.550 0.001 0.000 0.326 133 Y C 0.028 175.843 175.900 -0.141 0.000 1.151 133 Y CA -1.069 56.888 58.100 -0.239 0.000 1.195 133 Y CB 0.436 38.755 38.460 -0.235 0.000 1.210 133 Y HN 0.059 nan 8.280 nan 0.000 0.483 134 Y N 1.237 121.583 120.300 0.076 0.000 2.411 134 Y HA 0.055 4.606 4.550 0.001 0.000 0.333 134 Y C 1.026 176.947 175.900 0.036 0.000 1.186 134 Y CA 0.080 58.236 58.100 0.094 0.000 1.381 134 Y CB 0.549 39.028 38.460 0.032 0.000 1.273 134 Y HN 0.532 nan 8.280 nan 0.000 0.546 135 T N 3.359 118.021 114.554 0.179 0.000 2.788 135 T HA 0.433 4.784 4.350 0.001 0.000 0.280 135 T C -0.327 174.421 174.700 0.080 0.000 0.984 135 T CA -0.686 61.448 62.100 0.056 0.000 0.972 135 T CB 0.341 69.205 68.868 -0.007 0.000 1.039 135 T HN 0.433 nan 8.240 nan 0.000 0.530 136 R N 0.858 121.410 120.500 0.086 0.000 2.532 136 R HA 0.546 4.886 4.340 0.001 0.000 0.297 136 R C 0.659 177.077 176.300 0.197 0.000 0.984 136 R CA -0.449 55.719 56.100 0.113 0.000 0.884 136 R CB 1.433 31.789 30.300 0.094 0.000 1.182 136 R HN 0.719 nan 8.270 nan 0.000 0.442 137 A N 3.714 126.691 122.820 0.262 0.000 1.969 137 A HA 0.096 4.417 4.320 0.001 0.000 0.218 137 A C 0.678 178.392 177.584 0.217 0.000 1.169 137 A CA 1.058 53.302 52.037 0.346 0.000 0.635 137 A CB 0.199 19.599 19.000 0.667 0.000 0.810 137 A HN 0.480 nan 8.150 nan 0.000 0.445 138 L N 0.248 121.558 121.223 0.145 0.000 2.408 138 L HA 0.374 4.715 4.340 0.001 0.000 0.268 138 L C -2.572 174.188 176.870 -0.182 0.000 0.986 138 L CA -2.544 52.224 54.840 -0.119 0.000 0.820 138 L CB 2.729 44.508 42.059 -0.466 0.000 1.303 138 L HN 0.011 nan 8.230 nan 0.000 0.411 139 P HA 0.154 nan 4.420 nan 0.000 0.272 139 P C -2.683 174.475 177.300 -0.236 0.000 1.223 139 P CA -1.259 61.551 63.100 -0.483 0.000 0.784 139 P CB -0.233 30.938 31.700 -0.881 0.000 0.923 140 P HA -0.011 nan 4.420 nan 0.000 0.269 140 P C -0.188 177.078 177.300 -0.056 0.000 1.215 140 P CA 0.088 63.165 63.100 -0.037 0.000 0.780 140 P CB 0.256 31.963 31.700 0.011 0.000 0.898 141 V N 1.934 121.841 119.914 -0.012 0.000 2.529 141 V HA 0.133 4.254 4.120 0.001 0.000 0.292 141 V C 1.258 177.353 176.094 0.002 0.000 1.028 141 V CA -0.162 62.130 62.300 -0.013 0.000 1.074 141 V CB -0.314 31.517 31.823 0.014 0.000 0.958 141 V HN 0.748 nan 8.190 nan 0.000 0.481 142 A N 3.896 126.713 122.820 -0.005 0.000 2.555 142 A HA 0.019 4.340 4.320 0.001 0.000 0.233 142 A C 1.221 178.818 177.584 0.022 0.000 1.060 142 A CA -0.073 51.972 52.037 0.013 0.000 0.759 142 A CB -0.102 18.907 19.000 0.016 0.000 0.995 142 A HN 0.904 nan 8.150 nan 0.000 0.506 143 D N 0.221 120.636 120.400 0.026 0.000 2.263 143 D HA -0.103 4.538 4.640 0.001 0.000 0.208 143 D C 0.835 177.152 176.300 0.028 0.000 0.971 143 D CA 1.830 55.847 54.000 0.028 0.000 0.867 143 D CB 0.113 40.926 40.800 0.023 0.000 0.929 143 D HN 0.742 nan 8.370 nan 0.000 0.492 144 D N -0.598 119.820 120.400 0.029 0.000 2.559 144 D HA 0.003 4.644 4.640 0.001 0.000 0.234 144 D C -0.197 176.120 176.300 0.029 0.000 1.226 144 D CA -0.419 53.599 54.000 0.031 0.000 0.830 144 D CB -0.958 39.864 40.800 0.038 0.000 1.028 144 D HN -0.040 nan 8.370 nan 0.000 0.492 145 c N 2.043 120.657 118.600 0.024 0.000 2.605 145 c HA 0.235 4.806 4.570 0.001 0.000 0.404 145 c C -0.328 173.775 174.090 0.022 0.000 1.284 145 c CA -0.930 55.410 56.329 0.019 0.000 2.199 145 c CB 1.391 43.908 42.510 0.012 0.000 2.647 145 c HN 0.306 nan 8.230 nan 0.000 0.604 146 P HA -0.008 nan 4.420 nan 0.000 0.225 146 P C 0.410 177.726 177.300 0.025 0.000 1.156 146 P CA 1.311 64.424 63.100 0.023 0.000 0.787 146 P CB -0.029 31.684 31.700 0.021 0.000 0.802 147 T N -5.657 108.913 114.554 0.027 0.000 2.907 147 T HA 0.488 4.839 4.350 0.001 0.000 0.290 147 T C -2.438 172.286 174.700 0.039 0.000 1.066 147 T CA -2.088 60.033 62.100 0.034 0.000 1.012 147 T CB 1.928 70.819 68.868 0.038 0.000 1.184 147 T HN -0.346 nan 8.240 nan 0.000 0.522 148 P HA 0.089 nan 4.420 nan 0.000 0.219 148 P C 1.300 178.641 177.300 0.067 0.000 1.150 148 P CA 0.832 63.969 63.100 0.061 0.000 0.814 148 P CB 0.046 31.790 31.700 0.073 0.000 0.787 149 M N -2.049 117.591 119.600 0.067 0.000 2.495 149 M HA 0.286 4.767 4.480 0.001 0.000 0.237 149 M C 1.261 177.576 176.300 0.024 0.000 1.131 149 M CA 0.527 55.863 55.300 0.059 0.000 1.032 149 M CB -0.611 32.032 32.600 0.072 0.000 1.513 149 M HN 0.084 nan 8.290 nan 0.000 0.488 150 G N 0.355 109.166 108.800 0.019 0.000 1.819 150 G HA2 -0.221 3.740 3.960 0.001 0.000 0.217 150 G HA3 -0.221 3.740 3.960 0.001 0.000 0.217 150 G C 0.307 175.209 174.900 0.003 0.000 1.982 150 G CA 0.255 45.353 45.100 -0.002 0.000 1.468 150 G HN 0.343 nan 8.290 nan 0.000 0.474 151 V N -1.196 118.718 119.914 0.000 0.000 3.612 151 V HA 0.516 4.637 4.120 0.001 0.000 0.268 151 V C 0.740 176.844 176.094 0.018 0.000 1.365 151 V CA 1.118 63.423 62.300 0.007 0.000 1.044 151 V CB 0.161 31.984 31.823 -0.001 0.000 0.820 151 V HN 0.465 nan 8.190 nan 0.000 0.444 152 K N 1.623 122.036 120.400 0.021 0.000 2.098 152 K HA 0.634 4.954 4.320 0.001 0.000 0.257 152 K C 0.675 177.306 176.600 0.053 0.000 0.999 152 K CA 0.357 56.664 56.287 0.034 0.000 0.924 152 K CB 1.071 33.589 32.500 0.030 0.000 1.028 152 K HN 0.659 nan 8.250 nan 0.000 0.466 153 G N 1.167 110.006 108.800 0.065 0.000 2.681 153 G HA2 -0.218 3.743 3.960 0.001 0.000 0.220 153 G HA3 -0.218 3.743 3.960 0.001 0.000 0.220 153 G C -0.856 174.080 174.900 0.061 0.000 1.353 153 G CA -0.786 44.363 45.100 0.083 0.000 0.872 153 G HN 0.616 nan 8.290 nan 0.000 0.557 154 N N 0.278 119.014 118.700 0.059 0.000 2.476 154 N HA 0.397 5.138 4.740 0.001 0.000 0.276 154 N C 1.320 176.851 175.510 0.035 0.000 1.204 154 N CA -0.626 52.447 53.050 0.038 0.000 0.974 154 N CB 1.001 39.503 38.487 0.026 0.000 1.204 154 N HN 0.476 nan 8.380 nan 0.000 0.543 155 K N 0.733 121.148 120.400 0.025 0.000 2.286 155 K HA -0.089 4.232 4.320 0.001 0.000 0.203 155 K C -0.156 176.458 176.600 0.024 0.000 1.045 155 K CA 1.429 57.730 56.287 0.023 0.000 0.935 155 K CB -0.089 32.422 32.500 0.017 0.000 0.737 155 K HN 0.619 nan 8.250 nan 0.000 0.460 156 E N -0.500 119.712 120.200 0.020 0.000 2.356 156 E HA 0.262 4.613 4.350 0.001 0.000 0.275 156 E C -1.046 175.560 176.600 0.011 0.000 0.904 156 E CA -0.836 55.575 56.400 0.017 0.000 0.757 156 E CB 1.653 31.356 29.700 0.005 0.000 1.232 156 E HN -0.245 nan 8.360 nan 0.000 0.442 157 L N 2.604 123.838 121.223 0.019 0.000 2.472 157 L HA 0.281 4.621 4.340 0.001 0.000 0.260 157 L C -1.923 174.898 176.870 -0.081 0.000 1.209 157 L CA -1.803 53.038 54.840 0.002 0.000 0.817 157 L CB -0.725 41.372 42.059 0.064 0.000 1.106 157 L HN 0.455 nan 8.230 nan 0.000 0.479 158 P HA -0.034 nan 4.420 nan 0.000 0.266 158 P C -0.466 176.744 177.300 -0.150 0.000 1.195 158 P CA -0.357 62.593 63.100 -0.251 0.000 0.768 158 P CB 0.263 31.650 31.700 -0.522 0.000 0.838 159 D N 1.649 121.985 120.400 -0.106 0.000 2.793 159 D HA -0.101 4.540 4.640 0.001 0.000 0.230 159 D C 1.299 177.567 176.300 -0.054 0.000 1.139 159 D CA 0.652 54.614 54.000 -0.064 0.000 0.838 159 D CB 0.686 41.453 40.800 -0.055 0.000 1.149 159 D HN 0.349 nan 8.370 nan 0.000 0.526 160 S N 4.024 119.709 115.700 -0.024 0.000 2.382 160 S HA -0.250 4.220 4.470 0.001 0.000 0.228 160 S C 1.810 176.414 174.600 0.008 0.000 1.027 160 S CA 1.208 59.410 58.200 0.004 0.000 0.991 160 S CB -0.062 63.147 63.200 0.015 0.000 0.823 160 S HN 0.637 nan 8.310 nan 0.000 0.469 161 K N 1.252 121.650 120.400 -0.003 0.000 2.103 161 K HA -0.171 4.149 4.320 0.001 0.000 0.207 161 K C 2.215 178.811 176.600 -0.006 0.000 1.048 161 K CA 1.696 57.983 56.287 -0.001 0.000 0.930 161 K CB -0.254 32.242 32.500 -0.007 0.000 0.716 161 K HN 0.409 nan 8.250 nan 0.000 0.444 162 E N -0.094 120.093 120.200 -0.021 0.000 2.072 162 E HA -0.125 4.226 4.350 0.001 0.000 0.191 162 E C 1.766 178.354 176.600 -0.021 0.000 0.985 162 E CA 1.249 57.631 56.400 -0.031 0.000 0.801 162 E CB 0.112 29.778 29.700 -0.057 0.000 0.750 162 E HN 0.156 nan 8.360 nan 0.000 0.452 163 V N 0.944 120.851 119.914 -0.012 0.000 2.358 163 V HA -0.214 3.906 4.120 0.001 0.000 0.246 163 V C 2.367 178.485 176.094 0.039 0.000 1.047 163 V CA 1.437 63.752 62.300 0.026 0.000 1.035 163 V CB -0.535 31.331 31.823 0.073 0.000 0.658 163 V HN 0.370 nan 8.190 nan 0.000 0.452 164 L N 0.114 121.360 121.223 0.040 0.000 1.956 164 L HA -0.283 4.057 4.340 0.001 0.000 0.216 164 L C 2.701 179.587 176.870 0.026 0.000 1.073 164 L CA 2.352 57.219 54.840 0.044 0.000 0.762 164 L CB -0.385 41.696 42.059 0.037 0.000 0.889 164 L HN 0.426 nan 8.230 nan 0.000 0.433 165 E N -0.714 119.494 120.200 0.013 0.000 2.106 165 E HA -0.212 4.139 4.350 0.001 0.000 0.192 165 E C 2.175 178.776 176.600 0.002 0.000 0.984 165 E CA 0.963 57.366 56.400 0.005 0.000 0.806 165 E CB 0.117 29.816 29.700 -0.002 0.000 0.750 165 E HN 0.483 nan 8.360 nan 0.000 0.458 166 K N 0.291 120.690 120.400 -0.001 0.000 2.137 166 K HA -0.043 4.277 4.320 0.001 0.000 0.202 166 K C 2.002 178.600 176.600 -0.004 0.000 1.052 166 K CA 1.395 57.677 56.287 -0.007 0.000 0.961 166 K CB 0.519 33.009 32.500 -0.017 0.000 0.741 166 K HN 0.142 nan 8.250 nan 0.000 0.452 167 V N -2.833 117.084 119.914 0.006 0.000 3.398 167 V HA 0.180 4.301 4.120 0.001 0.000 0.298 167 V C 1.277 177.372 176.094 0.002 0.000 1.496 167 V CA -0.044 62.257 62.300 0.002 0.000 1.044 167 V CB -0.036 31.792 31.823 0.007 0.000 0.880 167 V HN 0.037 nan 8.190 nan 0.000 0.443 168 L N -0.024 121.207 121.223 0.013 0.000 2.467 168 L HA 0.409 4.749 4.340 0.001 0.000 0.213 168 L C 0.928 177.814 176.870 0.026 0.000 1.053 168 L CA 0.262 55.114 54.840 0.019 0.000 0.847 168 L CB 0.209 42.293 42.059 0.041 0.000 1.075 168 L HN 0.209 nan 8.230 nan 0.000 0.479 169 L N 1.572 122.809 121.223 0.023 0.000 2.453 169 L HA 0.095 4.436 4.340 0.001 0.000 0.272 169 L C 0.755 177.636 176.870 0.019 0.000 1.182 169 L CA 0.034 54.887 54.840 0.022 0.000 0.858 169 L CB 0.385 42.452 42.059 0.014 0.000 1.120 169 L HN 0.210 nan 8.230 nan 0.000 0.474 170 R N 3.163 123.681 120.500 0.029 0.000 2.401 170 R HA 0.096 4.437 4.340 0.001 0.000 0.299 170 R C 0.688 177.006 176.300 0.030 0.000 1.064 170 R CA -0.408 55.713 56.100 0.035 0.000 1.000 170 R CB 0.678 31.019 30.300 0.068 0.000 0.973 170 R HN 0.618 nan 8.270 nan 0.000 0.438 171 R N 3.245 123.758 120.500 0.022 0.000 2.024 171 R HA 0.093 4.433 4.340 0.001 0.000 0.216 171 R C 0.267 176.590 176.300 0.039 0.000 1.259 171 R CA 0.745 56.858 56.100 0.022 0.000 1.001 171 R CB -0.486 29.821 30.300 0.011 0.000 0.881 171 R HN 0.628 nan 8.270 nan 0.000 0.459 172 E N 0.539 120.761 120.200 0.036 0.000 2.214 172 E HA 0.201 4.552 4.350 0.001 0.000 0.274 172 E C -1.277 175.377 176.600 0.090 0.000 0.977 172 E CA -0.783 55.654 56.400 0.062 0.000 0.827 172 E CB 1.264 30.987 29.700 0.037 0.000 1.130 172 E HN -0.003 nan 8.360 nan 0.000 0.394 173 F N 4.371 124.313 119.950 -0.013 0.000 2.541 173 F HA 0.200 4.728 4.527 0.001 0.000 0.378 173 F C -0.537 175.249 175.800 -0.022 0.000 1.068 173 F CA -0.039 57.951 58.000 -0.017 0.000 1.199 173 F CB 0.226 39.212 39.000 -0.023 0.000 1.091 173 F HN 0.294 nan 8.300 nan 0.000 0.555 174 I N 9.398 129.587 120.570 -0.635 0.000 2.307 174 I HA 0.281 4.452 4.170 0.001 0.000 0.289 174 I C -2.088 173.498 176.117 -0.885 0.000 1.021 174 I CA -2.150 58.819 61.300 -0.553 0.000 1.224 174 I CB 1.039 38.860 38.000 -0.298 0.000 1.376 174 I HN 0.446 nan 8.210 nan 0.000 0.470 175 P HA 0.089 nan 4.420 nan 0.000 0.277 175 P C -0.895 176.213 177.300 -0.320 0.000 1.240 175 P CA -0.364 62.400 63.100 -0.560 0.000 0.798 175 P CB 0.963 32.551 31.700 -0.187 0.000 0.979 176 D N 3.059 123.317 120.400 -0.236 0.000 2.401 176 D HA 0.038 4.678 4.640 0.001 0.000 0.254 176 D C -1.185 175.010 176.300 -0.175 0.000 1.192 176 D CA -1.822 52.050 54.000 -0.215 0.000 0.885 176 D CB 0.380 41.052 40.800 -0.214 0.000 1.147 176 D HN 0.167 nan 8.370 nan 0.000 0.478 177 P HA -0.140 nan 4.420 nan 0.000 0.226 177 P C 0.635 177.846 177.300 -0.147 0.000 1.153 177 P CA 0.976 63.990 63.100 -0.144 0.000 0.777 177 P CB 0.249 31.865 31.700 -0.140 0.000 0.794 178 Q N -0.862 118.815 119.800 -0.205 0.000 2.444 178 Q HA 0.176 4.517 4.340 0.001 0.000 0.206 178 Q C 1.165 177.112 176.000 -0.088 0.000 0.948 178 Q CA 0.524 56.195 55.803 -0.220 0.000 0.946 178 Q CB -0.311 28.171 28.738 -0.426 0.000 1.027 178 Q HN 0.257 nan 8.270 nan 0.000 0.513 179 G N 1.365 110.122 108.800 -0.071 0.000 2.160 179 G HA2 -0.276 3.684 3.960 0.001 0.000 0.251 179 G HA3 -0.276 3.684 3.960 0.001 0.000 0.251 179 G C 0.026 174.931 174.900 0.008 0.000 1.008 179 G CA 0.278 45.372 45.100 -0.010 0.000 0.724 179 G HN 0.300 nan 8.290 nan 0.000 0.514 180 S N 0.729 116.412 115.700 -0.028 0.000 2.558 180 S HA 0.359 4.830 4.470 0.001 0.000 0.291 180 S C 0.789 175.376 174.600 -0.020 0.000 1.306 180 S CA 0.733 58.856 58.200 -0.127 0.000 1.056 180 S CB 0.645 63.667 63.200 -0.297 0.000 0.836 180 S HN 1.053 nan 8.310 nan 0.000 0.504 181 N N 1.158 119.890 118.700 0.053 0.000 2.890 181 N HA 0.403 5.144 4.740 0.001 0.000 0.317 181 N C 0.431 176.049 175.510 0.180 0.000 1.355 181 N CA -0.951 52.175 53.050 0.125 0.000 0.803 181 N CB -0.067 38.501 38.487 0.135 0.000 1.465 181 N HN 0.251 nan 8.380 nan 0.000 0.591 182 M N -0.341 119.328 119.600 0.116 0.000 2.319 182 M HA 0.111 4.592 4.480 0.001 0.000 0.265 182 M C 1.396 177.787 176.300 0.152 0.000 1.068 182 M CA 1.023 56.291 55.300 -0.054 0.000 1.118 182 M CB -1.051 31.369 32.600 -0.299 0.000 1.395 182 M HN 0.529 nan 8.290 nan 0.000 0.435 183 M N -1.152 118.667 119.600 0.366 0.000 2.213 183 M HA -0.171 4.310 4.480 0.001 0.000 0.263 183 M C 2.225 178.953 176.300 0.714 0.000 1.062 183 M CA 1.433 57.072 55.300 0.565 0.000 1.105 183 M CB -1.280 31.591 32.600 0.452 0.000 1.385 183 M HN 0.227 nan 8.290 nan 0.000 0.417 184 F N 0.956 121.146 119.950 0.400 0.000 2.128 184 F HA -0.008 4.519 4.527 0.001 0.000 0.295 184 F C 2.331 178.257 175.800 0.209 0.000 1.100 184 F CA 1.498 59.609 58.000 0.184 0.000 1.260 184 F CB -0.401 38.564 39.000 -0.059 0.000 1.009 184 F HN 0.093 nan 8.300 nan 0.000 0.476 185 A N 0.289 123.215 122.820 0.177 0.000 1.892 185 A HA -0.212 4.109 4.320 0.001 0.000 0.218 185 A C 2.002 179.512 177.584 -0.124 0.000 1.188 185 A CA 2.003 54.015 52.037 -0.041 0.000 0.631 185 A CB -1.549 17.325 19.000 -0.209 0.000 0.822 185 A HN 0.453 nan 8.150 nan 0.000 0.447 186 F N -1.979 118.058 119.950 0.146 0.000 2.456 186 F HA 0.078 4.606 4.527 0.001 0.000 0.298 186 F C 1.828 177.693 175.800 0.108 0.000 1.104 186 F CA 0.243 58.336 58.000 0.156 0.000 1.435 186 F CB -0.669 38.474 39.000 0.239 0.000 1.078 186 F HN 0.347 nan 8.300 nan 0.000 0.546 187 F N 0.420 120.416 119.950 0.078 0.000 2.206 187 F HA -0.042 4.485 4.527 0.001 0.000 0.298 187 F C 2.279 177.943 175.800 -0.226 0.000 1.090 187 F CA 1.158 58.944 58.000 -0.356 0.000 1.323 187 F CB -0.221 38.648 39.000 -0.219 0.000 1.028 187 F HN -0.083 nan 8.300 nan 0.000 0.492 188 A N -0.300 122.549 122.820 0.048 0.000 1.897 188 A HA -0.192 4.129 4.320 0.001 0.000 0.215 188 A C 2.180 179.703 177.584 -0.101 0.000 1.181 188 A CA 1.491 53.577 52.037 0.082 0.000 0.620 188 A CB -0.895 18.219 19.000 0.190 0.000 0.821 188 A HN 0.541 nan 8.150 nan 0.000 0.443 189 Q N -1.108 118.616 119.800 -0.126 0.000 2.050 189 Q HA -0.249 4.091 4.340 0.001 0.000 0.202 189 Q C 2.142 177.864 176.000 -0.463 0.000 0.980 189 Q CA 1.733 57.343 55.803 -0.322 0.000 0.840 189 Q CB -0.352 28.247 28.738 -0.232 0.000 0.898 189 Q HN 0.873 nan 8.270 nan 0.000 0.424 190 H N -0.555 118.248 119.070 -0.445 0.000 2.270 190 H HA -0.174 4.383 4.556 0.001 0.000 0.299 190 H C 2.021 177.119 175.328 -0.383 0.000 1.077 190 H CA 1.878 57.625 56.048 -0.501 0.000 1.294 190 H CB -0.381 29.097 29.762 -0.472 0.000 1.371 190 H HN 0.359 nan 8.280 nan 0.000 0.491 191 F N 2.098 121.660 119.950 -0.646 0.000 2.102 191 F HA -0.217 4.311 4.527 0.001 0.000 0.298 191 F C 2.818 178.013 175.800 -1.008 0.000 1.105 191 F CA 2.559 60.085 58.000 -0.791 0.000 1.239 191 F CB -0.945 37.576 39.000 -0.798 0.000 0.991 191 F HN 0.255 nan 8.300 nan 0.000 0.474 192 T N -2.660 111.215 114.554 -1.132 0.000 2.881 192 T HA -0.221 4.129 4.350 0.001 0.000 0.270 192 T C 1.457 175.268 174.700 -1.483 0.000 1.068 192 T CA 1.726 62.779 62.100 -1.745 0.000 1.131 192 T CB -0.949 67.286 68.868 -1.055 0.000 0.871 192 T HN 0.407 nan 8.240 nan 0.000 0.479 193 H N 1.735 120.242 119.070 -0.938 0.000 2.556 193 H HA 0.173 4.729 4.556 0.001 0.000 0.273 193 H C 2.322 177.289 175.328 -0.602 0.000 1.030 193 H CA 0.645 56.377 56.048 -0.528 0.000 1.156 193 H CB -0.251 29.459 29.762 -0.086 0.000 1.326 193 H HN 0.780 nan 8.280 nan 0.000 0.609 194 Q N -0.265 118.953 119.800 -0.969 0.000 2.250 194 Q HA -0.044 4.297 4.340 0.001 0.000 0.200 194 Q C 0.931 176.547 176.000 -0.640 0.000 0.941 194 Q CA 0.919 56.205 55.803 -0.861 0.000 0.872 194 Q CB -0.144 27.852 28.738 -1.236 0.000 0.965 194 Q HN 0.577 nan 8.270 nan 0.000 0.480 195 F N -2.576 116.951 119.950 -0.705 0.000 2.706 195 F HA 0.489 5.016 4.527 0.001 0.000 0.308 195 F C -0.248 175.270 175.800 -0.469 0.000 1.095 195 F CA -1.143 56.492 58.000 -0.607 0.000 1.244 195 F CB 0.535 39.150 39.000 -0.643 0.000 1.063 195 F HN -0.228 nan 8.300 nan 0.000 0.582 196 F N 3.635 123.388 119.950 -0.328 0.000 2.303 196 F HA 0.483 5.011 4.527 0.001 0.000 0.368 196 F C -0.123 175.489 175.800 -0.314 0.000 1.105 196 F CA -1.679 56.167 58.000 -0.257 0.000 1.153 196 F CB 0.852 39.555 39.000 -0.495 0.000 1.362 196 F HN -0.029 nan 8.300 nan 0.000 0.511 197 K N 2.017 122.435 120.400 0.030 0.000 2.992 197 K HA 0.204 4.525 4.320 0.001 0.000 0.178 197 K C -0.459 176.088 176.600 -0.088 0.000 1.122 197 K CA -0.346 55.885 56.287 -0.093 0.000 0.926 197 K CB 1.109 33.513 32.500 -0.160 0.000 1.121 197 K HN 0.316 nan 8.250 nan 0.000 0.610 198 T N 1.458 115.969 114.554 -0.072 0.000 2.902 198 T HA -0.050 4.301 4.350 0.001 0.000 0.301 198 T C 0.119 174.584 174.700 -0.391 0.000 1.012 198 T CA 0.365 62.353 62.100 -0.185 0.000 1.151 198 T CB 0.358 69.062 68.868 -0.274 0.000 0.946 198 T HN 0.257 nan 8.240 nan 0.000 0.542 199 D N 1.626 121.872 120.400 -0.257 0.000 2.483 199 D HA 0.050 4.690 4.640 0.001 0.000 0.220 199 D C 1.235 177.430 176.300 -0.174 0.000 1.173 199 D CA -0.334 53.547 54.000 -0.198 0.000 0.964 199 D CB 0.068 40.774 40.800 -0.157 0.000 1.046 199 D HN 0.541 nan 8.370 nan 0.000 0.517 200 H N 2.646 121.714 119.070 -0.004 0.000 2.518 200 H HA -0.071 4.486 4.556 0.001 0.000 0.289 200 H C 1.462 176.775 175.328 -0.026 0.000 1.051 200 H CA 0.789 56.840 56.048 0.004 0.000 1.280 200 H CB 0.505 30.270 29.762 0.005 0.000 1.380 200 H HN 0.486 nan 8.280 nan 0.000 0.566 201 K N 0.999 121.414 120.400 0.025 0.000 2.097 201 K HA -0.076 4.245 4.320 0.001 0.000 0.205 201 K C 2.124 178.665 176.600 -0.099 0.000 1.050 201 K CA 0.744 57.012 56.287 -0.033 0.000 0.938 201 K CB 0.005 32.468 32.500 -0.062 0.000 0.718 201 K HN 0.286 nan 8.250 nan 0.000 0.442 202 R N 0.620 121.001 120.500 -0.199 0.000 2.080 202 R HA 0.061 4.402 4.340 0.001 0.000 0.222 202 R C 0.860 177.049 176.300 -0.186 0.000 1.107 202 R CA 0.784 56.636 56.100 -0.412 0.000 0.980 202 R CB 0.233 29.948 30.300 -0.975 0.000 0.879 202 R HN 0.330 nan 8.270 nan 0.000 0.439 203 G N -0.677 108.146 108.800 0.037 0.000 2.333 203 G HA2 -0.071 3.890 3.960 0.001 0.000 0.330 203 G HA3 -0.071 3.890 3.960 0.001 0.000 0.330 203 G C -2.565 172.499 174.900 0.274 0.000 1.465 203 G CA -0.912 44.324 45.100 0.226 0.000 0.996 203 G HN -0.202 nan 8.290 nan 0.000 0.655 204 P HA 0.013 nan 4.420 nan 0.000 0.222 204 P C 1.485 178.881 177.300 0.160 0.000 1.147 204 P CA 1.739 64.915 63.100 0.127 0.000 0.790 204 P CB 0.090 31.830 31.700 0.067 0.000 0.780 205 G N -2.036 106.848 108.800 0.140 0.000 3.284 205 G HA2 0.228 4.189 3.960 0.001 0.000 0.236 205 G HA3 0.228 4.189 3.960 0.001 0.000 0.236 205 G C -0.139 174.654 174.900 -0.180 0.000 1.158 205 G CA -0.132 44.994 45.100 0.042 0.000 0.774 205 G HN 0.128 nan 8.290 nan 0.000 0.545 206 F N -0.717 119.235 119.950 0.003 0.000 2.538 206 F HA 0.683 5.211 4.527 0.001 0.000 0.325 206 F C 0.325 175.826 175.800 -0.498 0.000 1.066 206 F CA -0.806 57.030 58.000 -0.273 0.000 0.946 206 F CB 2.557 41.387 39.000 -0.283 0.000 1.199 206 F HN -0.162 nan 8.300 nan 0.000 0.473 207 T N 0.340 114.621 114.554 -0.455 0.000 2.906 207 T HA 0.434 4.784 4.350 0.001 0.000 0.295 207 T C 0.388 174.884 174.700 -0.341 0.000 1.061 207 T CA -0.598 61.129 62.100 -0.622 0.000 1.000 207 T CB 1.283 69.494 68.868 -1.094 0.000 1.103 207 T HN 0.702 nan 8.240 nan 0.000 0.486 208 R N 1.650 121.983 120.500 -0.279 0.000 2.362 208 R HA 0.257 4.597 4.340 0.001 0.000 0.227 208 R C 1.242 177.404 176.300 -0.230 0.000 0.905 208 R CA -0.077 55.894 56.100 -0.215 0.000 1.067 208 R CB 0.520 30.719 30.300 -0.168 0.000 1.078 208 R HN 0.577 nan 8.270 nan 0.000 0.516 209 G N 1.114 109.735 108.800 -0.298 0.000 3.161 209 G HA2 0.169 4.129 3.960 0.001 0.000 0.293 209 G HA3 0.169 4.129 3.960 0.001 0.000 0.293 209 G C 0.657 175.315 174.900 -0.404 0.000 0.893 209 G CA -0.398 44.522 45.100 -0.301 0.000 1.756 209 G HN 0.152 nan 8.290 nan 0.000 0.549 210 L N 1.431 122.497 121.223 -0.262 0.000 2.456 210 L HA 0.021 4.362 4.340 0.001 0.000 0.224 210 L C 2.686 179.511 176.870 -0.075 0.000 1.148 210 L CA 0.738 55.472 54.840 -0.178 0.000 0.825 210 L CB 0.130 42.137 42.059 -0.087 0.000 0.937 210 L HN 0.525 nan 8.230 nan 0.000 0.450 211 G N -2.181 106.555 108.800 -0.107 0.000 2.484 211 G HA2 -0.179 3.781 3.960 0.001 0.000 0.218 211 G HA3 -0.179 3.781 3.960 0.001 0.000 0.218 211 G C 0.616 175.540 174.900 0.039 0.000 1.130 211 G CA -0.118 44.966 45.100 -0.026 0.000 0.784 211 G HN 0.547 nan 8.290 nan 0.000 0.543 212 H N -0.126 118.904 119.070 -0.066 0.000 2.557 212 H HA -0.161 4.396 4.556 0.001 0.000 0.319 212 H C 1.147 176.415 175.328 -0.099 0.000 1.102 212 H CA 1.213 57.219 56.048 -0.070 0.000 1.126 212 H CB -1.353 28.365 29.762 -0.074 0.000 1.498 212 H HN 0.773 nan 8.280 nan 0.000 0.411 213 G N -1.797 106.982 108.800 -0.035 0.000 2.360 213 G HA2 0.209 4.170 3.960 0.001 0.000 0.276 213 G HA3 0.209 4.170 3.960 0.001 0.000 0.276 213 G C -0.859 174.047 174.900 0.009 0.000 1.256 213 G CA -0.296 44.747 45.100 -0.095 0.000 0.890 213 G HN 0.164 nan 8.290 nan 0.000 0.486 214 V N 2.385 122.318 119.914 0.031 0.000 2.287 214 V HA 0.293 4.414 4.120 0.001 0.000 0.246 214 V C 0.380 176.507 176.094 0.055 0.000 1.165 214 V CA 0.968 63.311 62.300 0.072 0.000 1.088 214 V CB 0.286 32.207 31.823 0.162 0.000 1.242 214 V HN 0.780 nan 8.190 nan 0.000 0.497 215 D N 3.350 123.763 120.400 0.022 0.000 2.469 215 D HA 0.068 4.709 4.640 0.001 0.000 0.213 215 D C 0.896 177.264 176.300 0.112 0.000 1.135 215 D CA -0.356 53.679 54.000 0.058 0.000 0.834 215 D CB 0.068 40.889 40.800 0.035 0.000 1.009 215 D HN 0.326 nan 8.370 nan 0.000 0.507 216 L N 0.837 122.120 121.223 0.099 0.000 3.843 216 L HA -0.346 3.995 4.340 0.001 0.000 0.411 216 L C 0.829 177.841 176.870 0.236 0.000 1.205 216 L CA 0.727 55.703 54.840 0.226 0.000 0.945 216 L CB -2.537 39.602 42.059 0.133 0.000 1.929 216 L HN 0.295 nan 8.230 nan 0.000 0.934 217 N N 0.240 119.023 118.700 0.138 0.000 2.430 217 N HA -0.210 4.531 4.740 0.001 0.000 0.186 217 N C 1.659 177.168 175.510 -0.002 0.000 1.032 217 N CA 1.828 54.917 53.050 0.065 0.000 0.893 217 N CB -0.283 38.187 38.487 -0.029 0.000 0.957 217 N HN 0.736 nan 8.380 nan 0.000 0.442 218 H N -1.103 117.797 119.070 -0.285 0.000 2.555 218 H HA 0.173 4.730 4.556 0.001 0.000 0.269 218 H C 1.312 176.447 175.328 -0.323 0.000 0.988 218 H CA 0.422 56.222 56.048 -0.414 0.000 1.178 218 H CB -0.293 29.194 29.762 -0.460 0.000 1.373 218 H HN 0.421 nan 8.280 nan 0.000 0.588 219 I N -1.084 119.190 120.570 -0.493 0.000 3.300 219 I HA -0.031 4.140 4.170 0.001 0.000 0.279 219 I C 1.103 176.957 176.117 -0.438 0.000 1.172 219 I CA 0.159 61.102 61.300 -0.594 0.000 1.431 219 I CB 0.186 37.604 38.000 -0.971 0.000 1.240 219 I HN -0.030 nan 8.210 nan 0.000 0.453 220 Y N 1.252 121.511 120.300 -0.069 0.000 2.458 220 Y HA 0.488 5.039 4.550 0.001 0.000 0.254 220 Y C 1.142 177.040 175.900 -0.003 0.000 1.120 220 Y CA -0.043 58.061 58.100 0.008 0.000 1.282 220 Y CB 0.144 38.651 38.460 0.078 0.000 1.109 220 Y HN 0.110 nan 8.280 nan 0.000 0.526 221 G N 0.599 109.443 108.800 0.075 0.000 2.719 221 G HA2 -0.187 3.774 3.960 0.001 0.000 0.686 221 G HA3 -0.187 3.774 3.960 0.001 0.000 0.686 221 G C 0.313 175.218 174.900 0.008 0.000 1.201 221 G CA -0.358 44.747 45.100 0.008 0.000 0.768 221 G HN 0.023 nan 8.290 nan 0.000 0.629 222 E N -0.393 119.781 120.200 -0.043 0.000 2.051 222 E HA -0.041 4.309 4.350 0.001 0.000 0.192 222 E C 1.984 178.560 176.600 -0.040 0.000 0.991 222 E CA 2.047 58.416 56.400 -0.052 0.000 0.799 222 E CB -0.188 29.463 29.700 -0.081 0.000 0.748 222 E HN 1.078 nan 8.360 nan 0.000 0.449 223 T N -2.361 112.165 114.554 -0.046 0.000 2.940 223 T HA 0.326 4.677 4.350 0.001 0.000 0.288 223 T C 1.321 175.971 174.700 -0.083 0.000 1.033 223 T CA -0.775 61.289 62.100 -0.060 0.000 1.033 223 T CB 1.483 70.314 68.868 -0.062 0.000 1.079 223 T HN -0.060 nan 8.240 nan 0.000 0.496 224 L N 0.352 121.496 121.223 -0.132 0.000 2.079 224 L HA -0.104 4.237 4.340 0.001 0.000 0.210 224 L C 2.299 178.970 176.870 -0.331 0.000 1.081 224 L CA 1.847 56.518 54.840 -0.282 0.000 0.752 224 L CB -0.469 41.400 42.059 -0.316 0.000 0.896 224 L HN 0.858 nan 8.230 nan 0.000 0.433 225 D N -0.207 120.092 120.400 -0.168 0.000 2.104 225 D HA -0.254 4.386 4.640 0.001 0.000 0.194 225 D C 2.220 178.511 176.300 -0.016 0.000 0.994 225 D CA 1.288 55.243 54.000 -0.076 0.000 0.830 225 D CB 0.094 40.867 40.800 -0.045 0.000 0.959 225 D HN 0.254 nan 8.370 nan 0.000 0.452 226 R N 0.488 120.972 120.500 -0.027 0.000 2.073 226 R HA -0.086 4.255 4.340 0.001 0.000 0.229 226 R C 2.373 178.688 176.300 0.026 0.000 1.120 226 R CA 1.114 57.214 56.100 0.001 0.000 0.967 226 R CB -0.174 30.114 30.300 -0.018 0.000 0.862 226 R HN 0.159 nan 8.270 nan 0.000 0.436 227 Q N -0.163 119.643 119.800 0.010 0.000 2.112 227 Q HA -0.249 4.091 4.340 0.001 0.000 0.206 227 Q C 1.586 177.629 176.000 0.072 0.000 0.987 227 Q CA 1.977 57.807 55.803 0.045 0.000 0.858 227 Q CB -0.153 28.597 28.738 0.021 0.000 0.905 227 Q HN 0.667 nan 8.270 nan 0.000 0.420 228 H N -0.642 118.411 119.070 -0.029 0.000 2.428 228 H HA -0.022 4.535 4.556 0.001 0.000 0.296 228 H C 1.940 177.319 175.328 0.085 0.000 1.062 228 H CA 0.853 56.929 56.048 0.047 0.000 1.350 228 H CB 0.346 30.218 29.762 0.184 0.000 1.403 228 H HN 0.208 nan 8.280 nan 0.000 0.533 229 K N 0.579 121.082 120.400 0.172 0.000 2.211 229 K HA -0.050 4.271 4.320 0.001 0.000 0.203 229 K C 1.755 178.396 176.600 0.068 0.000 1.050 229 K CA 0.566 56.922 56.287 0.114 0.000 0.945 229 K CB 0.204 32.750 32.500 0.076 0.000 0.732 229 K HN 0.261 nan 8.250 nan 0.000 0.451 230 L N 0.444 121.691 121.223 0.039 0.000 2.492 230 L HA 0.005 4.346 4.340 0.001 0.000 0.223 230 L C 0.710 177.565 176.870 -0.024 0.000 1.132 230 L CA 0.257 55.112 54.840 0.025 0.000 0.850 230 L CB 0.066 42.150 42.059 0.040 0.000 0.966 230 L HN 0.048 nan 8.230 nan 0.000 0.454 231 R N -0.659 119.750 120.500 -0.152 0.000 2.598 231 R HA 0.204 4.545 4.340 0.001 0.000 0.279 231 R C 0.515 176.638 176.300 -0.295 0.000 0.984 231 R CA -0.583 55.297 56.100 -0.366 0.000 0.999 231 R CB 1.718 31.458 30.300 -0.933 0.000 1.114 231 R HN -0.133 nan 8.270 nan 0.000 0.493 232 L N 1.661 122.763 121.223 -0.201 0.000 2.354 232 L HA 0.222 4.562 4.340 0.001 0.000 0.212 232 L C 0.156 177.077 176.870 0.084 0.000 1.091 232 L CA 1.057 55.894 54.840 -0.005 0.000 0.828 232 L CB -0.091 42.015 42.059 0.078 0.000 0.973 232 L HN 0.822 nan 8.230 nan 0.000 0.461 233 F N -0.555 119.387 119.950 -0.014 0.000 3.034 233 F HA -0.318 4.210 4.527 0.001 0.000 0.286 233 F C 0.380 176.186 175.800 0.010 0.000 0.804 233 F CA 0.860 58.834 58.000 -0.043 0.000 1.161 233 F CB -1.621 37.324 39.000 -0.091 0.000 1.317 233 F HN 0.120 nan 8.300 nan 0.000 0.453 234 K N 0.290 120.786 120.400 0.159 0.000 2.443 234 K HA 0.358 4.679 4.320 0.001 0.000 0.252 234 K C 0.074 176.763 176.600 0.148 0.000 0.933 234 K CA -0.721 55.653 56.287 0.144 0.000 0.792 234 K CB 1.688 34.262 32.500 0.124 0.000 1.185 234 K HN 0.004 nan 8.250 nan 0.000 0.425 235 D N 1.146 121.638 120.400 0.153 0.000 3.079 235 D HA -0.183 4.458 4.640 0.001 0.000 0.214 235 D C 0.686 177.102 176.300 0.194 0.000 1.145 235 D CA 1.784 55.883 54.000 0.164 0.000 0.958 235 D CB -1.119 39.768 40.800 0.145 0.000 1.117 235 D HN 1.100 nan 8.370 nan 0.000 0.416 236 G N -0.026 108.901 108.800 0.211 0.000 2.143 236 G HA2 -0.370 3.591 3.960 0.001 0.000 0.248 236 G HA3 -0.370 3.591 3.960 0.001 0.000 0.248 236 G C 0.241 175.420 174.900 0.465 0.000 0.991 236 G CA 0.877 46.166 45.100 0.316 0.000 0.689 236 G HN 0.483 nan 8.290 nan 0.000 0.522 237 K N -0.788 119.808 120.400 0.327 0.000 2.087 237 K HA 0.640 4.961 4.320 0.001 0.000 0.255 237 K C 0.174 176.967 176.600 0.320 0.000 0.988 237 K CA -1.030 55.496 56.287 0.399 0.000 0.915 237 K CB 0.868 33.546 32.500 0.298 0.000 1.043 237 K HN 0.002 nan 8.250 nan 0.000 0.457 238 L N 2.456 123.887 121.223 0.348 0.000 2.326 238 L HA 0.211 4.552 4.340 0.001 0.000 0.278 238 L C 0.275 177.296 176.870 0.252 0.000 1.092 238 L CA 0.005 54.964 54.840 0.199 0.000 0.810 238 L CB 0.744 42.890 42.059 0.146 0.000 1.153 238 L HN 0.467 nan 8.230 nan 0.000 0.439 239 K N 3.043 123.532 120.400 0.149 0.000 2.494 239 K HA 0.178 4.499 4.320 0.001 0.000 0.273 239 K C -1.026 175.729 176.600 0.258 0.000 0.970 239 K CA 0.791 57.157 56.287 0.132 0.000 0.963 239 K CB 0.284 32.818 32.500 0.056 0.000 0.913 239 K HN 0.590 nan 8.250 nan 0.000 0.502 240 Y N -2.408 117.941 120.300 0.082 0.000 2.713 240 Y HA 0.265 4.816 4.550 0.001 0.000 0.335 240 Y C -1.476 174.486 175.900 0.103 0.000 1.222 240 Y CA -1.392 56.764 58.100 0.095 0.000 1.061 240 Y CB 0.997 39.504 38.460 0.077 0.000 1.314 240 Y HN 0.603 nan 8.280 nan 0.000 0.453 241 Q N 0.919 120.875 119.800 0.261 0.000 2.433 241 Q HA 0.833 5.173 4.340 0.001 0.000 0.279 241 Q C -2.037 174.150 176.000 0.312 0.000 1.105 241 Q CA -1.282 54.623 55.803 0.171 0.000 0.815 241 Q CB 3.033 31.866 28.738 0.157 0.000 1.403 241 Q HN 0.627 nan 8.270 nan 0.000 0.435 242 V N 2.824 122.870 119.914 0.220 0.000 2.417 242 V HA 0.500 4.621 4.120 0.001 0.000 0.291 242 V C -0.439 175.772 176.094 0.194 0.000 1.024 242 V CA -0.527 61.910 62.300 0.229 0.000 0.861 242 V CB 1.183 33.113 31.823 0.178 0.000 0.985 242 V HN 0.673 nan 8.190 nan 0.000 0.436 243 I N 3.464 124.186 120.570 0.254 0.000 2.468 243 I HA 0.517 4.688 4.170 0.001 0.000 0.285 243 I C 1.000 177.220 176.117 0.171 0.000 1.039 243 I CA -0.664 60.741 61.300 0.175 0.000 1.074 243 I CB 1.786 39.854 38.000 0.112 0.000 1.228 243 I HN 0.810 nan 8.210 nan 0.000 0.436 244 G N 4.302 113.161 108.800 0.099 0.000 2.390 244 G HA2 -0.126 3.835 3.960 0.001 0.000 0.299 244 G HA3 -0.126 3.835 3.960 0.001 0.000 0.299 244 G C 1.027 175.980 174.900 0.088 0.000 1.002 244 G CA 0.789 45.938 45.100 0.080 0.000 0.979 244 G HN 1.574 nan 8.290 nan 0.000 0.513 245 G N -1.776 107.076 108.800 0.086 0.000 2.184 245 G HA2 -0.260 3.701 3.960 0.001 0.000 0.264 245 G HA3 -0.260 3.701 3.960 0.001 0.000 0.264 245 G C 0.130 175.063 174.900 0.055 0.000 0.975 245 G CA 0.929 46.068 45.100 0.064 0.000 0.642 245 G HN 0.901 nan 8.290 nan 0.000 0.536 246 E N -0.261 119.995 120.200 0.093 0.000 2.195 246 E HA 0.541 4.892 4.350 0.001 0.000 0.271 246 E C 0.043 176.624 176.600 -0.031 0.000 0.923 246 E CA -0.743 55.654 56.400 -0.005 0.000 0.790 246 E CB 2.357 32.069 29.700 0.019 0.000 1.155 246 E HN 0.083 nan 8.360 nan 0.000 0.402 247 V N 3.658 123.436 119.914 -0.226 0.000 2.530 247 V HA 0.221 4.342 4.120 0.001 0.000 0.282 247 V C -0.720 175.128 176.094 -0.410 0.000 1.048 247 V CA 0.093 62.295 62.300 -0.164 0.000 0.997 247 V CB -0.151 31.534 31.823 -0.230 0.000 0.987 247 V HN 0.528 nan 8.190 nan 0.000 0.477 248 Y N 4.106 124.437 120.300 0.052 0.000 2.615 248 Y HA 0.472 5.023 4.550 0.001 0.000 0.341 248 Y C -2.365 173.575 175.900 0.067 0.000 1.089 248 Y CA -2.613 55.462 58.100 -0.042 0.000 1.049 248 Y CB 2.183 40.592 38.460 -0.086 0.000 1.296 248 Y HN 0.424 nan 8.280 nan 0.000 0.470 249 P HA 0.000 nan 4.420 nan 0.000 0.268 249 P C -2.480 175.041 177.300 0.368 0.000 1.208 249 P CA -0.638 62.593 63.100 0.218 0.000 0.777 249 P CB -0.041 31.745 31.700 0.143 0.000 0.875 250 P HA 0.033 nan 4.420 nan 0.000 0.275 250 P C -0.322 177.100 177.300 0.203 0.000 1.270 250 P CA 0.119 63.341 63.100 0.204 0.000 0.791 250 P CB 0.095 31.869 31.700 0.124 0.000 1.089 251 T N -3.873 110.727 114.554 0.077 0.000 2.944 251 T HA 0.248 4.599 4.350 0.001 0.000 0.284 251 T C 1.403 176.107 174.700 0.007 0.000 1.010 251 T CA -0.743 61.347 62.100 -0.015 0.000 1.025 251 T CB 0.358 69.164 68.868 -0.103 0.000 1.079 251 T HN 0.052 nan 8.240 nan 0.000 0.516 252 V N 1.480 121.386 119.914 -0.013 0.000 2.332 252 V HA -0.162 3.959 4.120 0.001 0.000 0.248 252 V C 2.842 178.928 176.094 -0.013 0.000 1.055 252 V CA 2.324 64.630 62.300 0.009 0.000 1.038 252 V CB -0.875 30.957 31.823 0.015 0.000 0.651 252 V HN 1.045 nan 8.190 nan 0.000 0.450 253 K N 0.192 120.565 120.400 -0.045 0.000 2.057 253 K HA -0.277 4.044 4.320 0.001 0.000 0.207 253 K C 1.919 178.506 176.600 -0.022 0.000 1.049 253 K CA 2.226 58.489 56.287 -0.040 0.000 0.931 253 K CB -0.305 32.159 32.500 -0.059 0.000 0.714 253 K HN 0.507 nan 8.250 nan 0.000 0.440 254 D N -0.541 119.848 120.400 -0.018 0.000 2.183 254 D HA -0.108 4.533 4.640 0.001 0.000 0.203 254 D C 1.698 178.004 176.300 0.011 0.000 0.969 254 D CA 1.801 55.798 54.000 -0.005 0.000 0.842 254 D CB 0.164 40.962 40.800 -0.004 0.000 0.957 254 D HN 0.464 nan 8.370 nan 0.000 0.484 255 T N -4.732 109.835 114.554 0.021 0.000 3.018 255 T HA 0.137 4.488 4.350 0.001 0.000 0.246 255 T C 1.038 175.757 174.700 0.031 0.000 1.026 255 T CA 0.415 62.536 62.100 0.035 0.000 1.081 255 T CB 0.210 69.106 68.868 0.048 0.000 0.970 255 T HN 0.006 nan 8.240 nan 0.000 0.475 256 Q N 0.172 119.985 119.800 0.022 0.000 2.374 256 Q HA -0.135 4.206 4.340 0.001 0.000 0.218 256 Q C 0.158 176.170 176.000 0.021 0.000 0.691 256 Q CA 0.815 56.628 55.803 0.017 0.000 1.340 256 Q CB -2.572 26.175 28.738 0.015 0.000 1.498 256 Q HN 0.916 nan 8.270 nan 0.000 0.739 257 V N -0.233 119.699 119.914 0.029 0.000 2.637 257 V HA 0.277 4.398 4.120 0.001 0.000 0.296 257 V C 0.516 176.623 176.094 0.023 0.000 1.046 257 V CA -0.351 61.964 62.300 0.024 0.000 1.066 257 V CB 1.180 33.020 31.823 0.027 0.000 0.968 257 V HN 0.213 nan 8.190 nan 0.000 0.483 258 E N 6.576 126.779 120.200 0.006 0.000 2.344 258 E HA 0.349 4.700 4.350 0.001 0.000 0.270 258 E C -0.466 176.131 176.600 -0.004 0.000 1.021 258 E CA -0.264 56.138 56.400 0.003 0.000 0.887 258 E CB 0.945 30.637 29.700 -0.013 0.000 0.997 258 E HN 0.629 nan 8.360 nan 0.000 0.429 259 M N 2.055 121.664 119.600 0.015 0.000 2.690 259 M HA 0.435 4.916 4.480 0.001 0.000 0.302 259 M C -0.417 175.828 176.300 -0.093 0.000 1.234 259 M CA -0.908 54.368 55.300 -0.040 0.000 0.853 259 M CB 1.718 34.353 32.600 0.058 0.000 1.748 259 M HN 0.428 nan 8.290 nan 0.000 0.469 260 I N 1.894 122.324 120.570 -0.234 0.000 2.291 260 I HA 0.280 4.451 4.170 0.001 0.000 0.290 260 I C -1.379 174.509 176.117 -0.381 0.000 1.050 260 I CA -0.144 61.036 61.300 -0.199 0.000 1.245 260 I CB 0.254 38.181 38.000 -0.122 0.000 1.405 260 I HN 0.465 nan 8.210 nan 0.000 0.478 261 Y N 6.728 126.995 120.300 -0.055 0.000 2.442 261 Y HA 0.435 4.985 4.550 0.001 0.000 0.344 261 Y C -1.993 173.789 175.900 -0.197 0.000 0.976 261 Y CA -2.264 55.768 58.100 -0.114 0.000 1.040 261 Y CB 1.802 40.190 38.460 -0.120 0.000 1.228 261 Y HN 0.415 nan 8.280 nan 0.000 0.451 262 P HA 0.051 nan 4.420 nan 0.000 0.269 262 P C -2.211 174.961 177.300 -0.213 0.000 1.209 262 P CA -1.204 61.743 63.100 -0.255 0.000 0.776 262 P CB 0.788 32.202 31.700 -0.478 0.000 0.876 263 P HA -0.191 nan 4.420 nan 0.000 0.221 263 P C 1.276 178.541 177.300 -0.058 0.000 1.145 263 P CA 1.594 64.659 63.100 -0.059 0.000 0.795 263 P CB -0.495 31.198 31.700 -0.011 0.000 0.775 264 H N -1.538 117.497 119.070 -0.059 0.000 2.547 264 H HA 0.096 4.652 4.556 0.001 0.000 0.266 264 H C 0.464 175.753 175.328 -0.065 0.000 0.988 264 H CA -0.273 55.744 56.048 -0.052 0.000 1.147 264 H CB -0.223 29.517 29.762 -0.038 0.000 1.365 264 H HN 0.025 nan 8.280 nan 0.000 0.589 265 I N 5.136 125.451 120.570 -0.424 0.000 2.452 265 I HA 0.125 4.296 4.170 0.001 0.000 0.287 265 I C -2.000 173.959 176.117 -0.264 0.000 1.079 265 I CA -2.424 58.659 61.300 -0.361 0.000 1.387 265 I CB 0.842 38.581 38.000 -0.436 0.000 1.404 265 I HN 0.099 nan 8.210 nan 0.000 0.522 266 P HA 0.115 nan 4.420 nan 0.000 0.271 266 P C 0.563 177.710 177.300 -0.256 0.000 1.216 266 P CA -0.173 62.816 63.100 -0.184 0.000 0.776 266 P CB 0.963 32.578 31.700 -0.143 0.000 0.881 267 E N 1.753 121.830 120.200 -0.206 0.000 2.233 267 E HA -0.237 4.114 4.350 0.001 0.000 0.199 267 E C 1.519 177.953 176.600 -0.277 0.000 1.004 267 E CA 1.339 57.608 56.400 -0.219 0.000 0.819 267 E CB -0.093 29.520 29.700 -0.145 0.000 0.738 267 E HN 0.564 nan 8.360 nan 0.000 0.478 268 N N 0.263 118.800 118.700 -0.272 0.000 2.461 268 N HA -0.099 4.642 4.740 0.001 0.000 0.188 268 N C 1.271 176.477 175.510 -0.508 0.000 1.134 268 N CA 0.482 53.347 53.050 -0.308 0.000 0.878 268 N CB 0.193 38.555 38.487 -0.209 0.000 0.972 268 N HN 0.238 nan 8.380 nan 0.000 0.456 269 L N -0.176 120.706 121.223 -0.568 0.000 2.766 269 L HA 0.217 4.558 4.340 0.001 0.000 0.242 269 L C 0.163 176.449 176.870 -0.973 0.000 1.136 269 L CA -0.001 54.384 54.840 -0.759 0.000 0.933 269 L CB 0.270 42.068 42.059 -0.435 0.000 1.241 269 L HN 0.001 nan 8.230 nan 0.000 0.522 270 Q N 1.001 120.272 119.800 -0.882 0.000 2.534 270 Q HA 0.206 4.547 4.340 0.001 0.000 0.223 270 Q C -0.867 174.887 176.000 -0.409 0.000 1.239 270 Q CA -0.145 55.090 55.803 -0.947 0.000 0.936 270 Q CB 0.103 28.453 28.738 -0.647 0.000 1.457 270 Q HN 0.133 nan 8.270 nan 0.000 0.547 271 F N 1.094 121.054 119.950 0.017 0.000 2.443 271 F HA 0.284 4.812 4.527 0.001 0.000 0.353 271 F C 0.766 176.686 175.800 0.200 0.000 1.101 271 F CA -0.682 57.390 58.000 0.120 0.000 1.226 271 F CB 0.778 39.853 39.000 0.125 0.000 1.140 271 F HN 0.370 nan 8.300 nan 0.000 0.557 272 A N 3.809 126.820 122.820 0.319 0.000 2.271 272 A HA 0.748 5.069 4.320 0.001 0.000 0.317 272 A C -0.621 177.058 177.584 0.159 0.000 1.245 272 A CA -0.496 51.660 52.037 0.199 0.000 0.857 272 A CB 0.556 19.634 19.000 0.131 0.000 1.175 272 A HN 0.732 nan 8.150 nan 0.000 0.512 273 V N -0.116 119.856 119.914 0.098 0.000 3.167 273 V HA 0.860 4.981 4.120 0.001 0.000 0.310 273 V C 1.129 177.183 176.094 -0.066 0.000 1.207 273 V CA -0.075 62.248 62.300 0.038 0.000 1.059 273 V CB 0.981 32.861 31.823 0.094 0.000 1.079 273 V HN 1.056 nan 8.190 nan 0.000 0.446 274 G N -0.689 108.033 108.800 -0.130 0.000 2.469 274 G HA2 -0.116 3.845 3.960 0.001 0.000 0.219 274 G HA3 -0.116 3.845 3.960 0.001 0.000 0.219 274 G C 0.705 175.438 174.900 -0.280 0.000 1.150 274 G CA 0.967 45.958 45.100 -0.181 0.000 0.763 274 G HN 0.695 nan 8.290 nan 0.000 0.561 275 Q N 0.194 119.684 119.800 -0.517 0.000 2.325 275 Q HA 0.185 4.526 4.340 0.001 0.000 0.262 275 Q C 1.174 176.860 176.000 -0.523 0.000 0.968 275 Q CA -0.231 55.125 55.803 -0.746 0.000 0.877 275 Q CB 1.752 29.418 28.738 -1.786 0.000 1.253 275 Q HN 0.728 nan 8.270 nan 0.000 0.448 276 E N 1.892 121.907 120.200 -0.307 0.000 2.409 276 E HA -0.104 4.247 4.350 0.001 0.000 0.198 276 E C 1.001 177.506 176.600 -0.159 0.000 1.024 276 E CA 0.626 56.916 56.400 -0.183 0.000 0.861 276 E CB 0.226 29.849 29.700 -0.130 0.000 0.788 276 E HN 0.254 nan 8.360 nan 0.000 0.521 277 V N 0.069 119.911 119.914 -0.120 0.000 3.660 277 V HA 0.008 4.129 4.120 0.001 0.000 0.276 277 V C 0.708 176.918 176.094 0.194 0.000 1.317 277 V CA 0.076 62.394 62.300 0.030 0.000 1.097 277 V CB -0.387 31.504 31.823 0.113 0.000 0.863 277 V HN 0.210 nan 8.190 nan 0.000 0.438 278 F N 1.142 121.053 119.950 -0.065 0.000 2.641 278 F HA 0.157 4.685 4.527 0.001 0.000 0.298 278 F C 2.219 177.993 175.800 -0.045 0.000 1.146 278 F CA 0.691 58.673 58.000 -0.030 0.000 1.464 278 F CB -1.210 37.798 39.000 0.014 0.000 1.101 278 F HN 0.297 nan 8.300 nan 0.000 0.585 279 G N -0.842 107.990 108.800 0.055 0.000 2.813 279 G HA2 -0.046 3.915 3.960 0.001 0.000 0.209 279 G HA3 -0.046 3.915 3.960 0.001 0.000 0.209 279 G C 1.666 176.601 174.900 0.059 0.000 1.150 279 G CA -0.011 45.110 45.100 0.035 0.000 0.785 279 G HN 0.253 nan 8.290 nan 0.000 0.535 280 L N 0.350 121.582 121.223 0.016 0.000 2.341 280 L HA 0.179 4.520 4.340 0.001 0.000 0.214 280 L C 0.070 176.878 176.870 -0.104 0.000 1.115 280 L CA 0.806 55.685 54.840 0.066 0.000 0.820 280 L CB 0.229 42.351 42.059 0.105 0.000 0.944 280 L HN -0.017 nan 8.230 nan 0.000 0.452 281 V N -0.830 118.995 119.914 -0.148 0.000 2.525 281 V HA 0.247 4.368 4.120 0.001 0.000 0.299 281 V C -1.818 174.023 176.094 -0.422 0.000 1.034 281 V CA -1.009 61.093 62.300 -0.330 0.000 0.863 281 V CB 1.663 33.374 31.823 -0.188 0.000 0.999 281 V HN -0.133 nan 8.190 nan 0.000 0.423 282 P HA -0.080 nan 4.420 nan 0.000 0.221 282 P C 1.601 178.680 177.300 -0.368 0.000 1.145 282 P CA 1.481 64.277 63.100 -0.506 0.000 0.795 282 P CB 0.311 31.632 31.700 -0.633 0.000 0.775 283 G N -0.532 107.903 108.800 -0.608 0.000 2.408 283 G HA2 -0.206 3.754 3.960 0.001 0.000 0.217 283 G HA3 -0.206 3.754 3.960 0.001 0.000 0.217 283 G C 1.309 175.941 174.900 -0.447 0.000 1.150 283 G CA 0.481 45.007 45.100 -0.957 0.000 0.776 283 G HN 0.143 nan 8.290 nan 0.000 0.542 284 L N -0.219 120.782 121.223 -0.370 0.000 2.027 284 L HA 0.146 4.487 4.340 0.001 0.000 0.206 284 L C 2.737 179.487 176.870 -0.200 0.000 1.074 284 L CA 1.429 56.094 54.840 -0.292 0.000 0.745 284 L CB -0.806 40.986 42.059 -0.445 0.000 0.898 284 L HN 0.194 nan 8.230 nan 0.000 0.433 285 M N -1.404 118.086 119.600 -0.184 0.000 2.213 285 M HA -0.214 4.267 4.480 0.001 0.000 0.263 285 M C 2.180 178.346 176.300 -0.224 0.000 1.062 285 M CA 1.488 56.702 55.300 -0.143 0.000 1.105 285 M CB -0.443 32.059 32.600 -0.165 0.000 1.385 285 M HN 0.281 nan 8.290 nan 0.000 0.417 286 M N -1.391 118.033 119.600 -0.294 0.000 2.065 286 M HA -0.282 4.199 4.480 0.001 0.000 0.259 286 M C 1.757 177.857 176.300 -0.332 0.000 1.071 286 M CA 2.018 57.108 55.300 -0.351 0.000 1.109 286 M CB -0.437 31.980 32.600 -0.306 0.000 1.313 286 M HN 0.263 nan 8.290 nan 0.000 0.408 287 Y N 0.329 120.461 120.300 -0.281 0.000 2.224 287 Y HA -0.102 4.449 4.550 0.001 0.000 0.289 287 Y C 2.658 178.368 175.900 -0.316 0.000 1.146 287 Y CA 1.565 59.415 58.100 -0.417 0.000 1.182 287 Y CB -1.042 36.926 38.460 -0.820 0.000 0.983 287 Y HN 0.414 nan 8.280 nan 0.000 0.524 288 A N -0.691 122.098 122.820 -0.051 0.000 1.908 288 A HA -0.215 4.105 4.320 0.001 0.000 0.218 288 A C 2.298 179.918 177.584 0.061 0.000 1.181 288 A CA 2.388 54.533 52.037 0.180 0.000 0.627 288 A CB -1.166 17.986 19.000 0.255 0.000 0.818 288 A HN 0.418 nan 8.150 nan 0.000 0.445 289 T N 0.116 114.627 114.554 -0.070 0.000 2.812 289 T HA -0.021 4.329 4.350 0.001 0.000 0.264 289 T C 1.806 176.420 174.700 -0.144 0.000 1.042 289 T CA 1.315 63.334 62.100 -0.136 0.000 1.140 289 T CB -0.363 68.360 68.868 -0.242 0.000 0.870 289 T HN 0.421 nan 8.240 nan 0.000 0.445 290 I N -0.634 119.828 120.570 -0.179 0.000 2.208 290 I HA -0.203 3.967 4.170 0.001 0.000 0.245 290 I C 2.192 178.206 176.117 -0.172 0.000 1.097 290 I CA 1.553 62.715 61.300 -0.231 0.000 1.363 290 I CB -0.285 37.523 38.000 -0.321 0.000 1.051 290 I HN 0.353 nan 8.210 nan 0.000 0.413 291 W N 0.464 121.739 121.300 -0.043 0.000 2.418 291 W HA -0.076 4.585 4.660 0.001 0.000 0.292 291 W C 2.456 178.959 176.519 -0.027 0.000 1.213 291 W CA 0.376 57.710 57.345 -0.018 0.000 1.283 291 W CB -0.220 29.222 29.460 -0.030 0.000 1.119 291 W HN 0.080 nan 8.180 nan 0.000 0.542 292 L N 0.731 122.045 121.223 0.152 0.000 2.012 292 L HA -0.253 4.088 4.340 0.001 0.000 0.210 292 L C 2.526 179.443 176.870 0.078 0.000 1.073 292 L CA 1.768 56.662 54.840 0.091 0.000 0.748 292 L CB -0.325 41.760 42.059 0.042 0.000 0.891 292 L HN -0.093 nan 8.230 nan 0.000 0.431 293 R N -0.247 120.242 120.500 -0.018 0.000 2.083 293 R HA -0.242 4.099 4.340 0.001 0.000 0.237 293 R C 2.209 178.501 176.300 -0.012 0.000 1.137 293 R CA 1.711 57.764 56.100 -0.078 0.000 0.951 293 R CB -0.365 29.843 30.300 -0.153 0.000 0.851 293 R HN 0.392 nan 8.270 nan 0.000 0.434 294 E N -0.267 119.947 120.200 0.023 0.000 2.085 294 E HA -0.263 4.088 4.350 0.001 0.000 0.194 294 E C 1.751 178.442 176.600 0.152 0.000 0.994 294 E CA 1.984 58.423 56.400 0.065 0.000 0.801 294 E CB -0.236 29.505 29.700 0.068 0.000 0.743 294 E HN 0.522 nan 8.360 nan 0.000 0.453 295 H N -0.267 118.896 119.070 0.154 0.000 2.321 295 H HA -0.038 4.518 4.556 0.001 0.000 0.300 295 H C 1.635 177.046 175.328 0.138 0.000 1.087 295 H CA 2.188 58.348 56.048 0.186 0.000 1.319 295 H CB -0.130 29.772 29.762 0.232 0.000 1.379 295 H HN 0.141 nan 8.280 nan 0.000 0.501 296 N N 0.295 119.079 118.700 0.140 0.000 2.244 296 N HA -0.121 4.619 4.740 0.001 0.000 0.183 296 N C 1.987 177.484 175.510 -0.021 0.000 1.016 296 N CA 0.861 53.944 53.050 0.055 0.000 0.866 296 N CB -0.351 38.157 38.487 0.036 0.000 0.980 296 N HN 0.419 nan 8.380 nan 0.000 0.430 297 R N 0.830 121.317 120.500 -0.022 0.000 2.073 297 R HA -0.049 4.292 4.340 0.001 0.000 0.234 297 R C 1.672 177.963 176.300 -0.015 0.000 1.134 297 R CA 1.135 57.220 56.100 -0.025 0.000 0.952 297 R CB -0.241 30.043 30.300 -0.027 0.000 0.850 297 R HN -0.015 nan 8.270 nan 0.000 0.433 298 V N 0.310 120.213 119.914 -0.019 0.000 2.490 298 V HA -0.296 3.825 4.120 0.001 0.000 0.250 298 V C 2.516 178.604 176.094 -0.011 0.000 1.061 298 V CA 1.518 63.817 62.300 -0.002 0.000 1.064 298 V CB -0.452 31.384 31.823 0.021 0.000 0.670 298 V HN 0.530 nan 8.190 nan 0.000 0.461 299 C N 0.106 119.364 119.300 -0.070 0.000 2.413 299 C HA -0.173 4.288 4.460 0.001 0.000 0.276 299 C C 2.525 177.545 174.990 0.049 0.000 1.236 299 C CA 1.033 60.048 59.018 -0.005 0.000 1.735 299 C CB -1.005 26.730 27.740 -0.008 0.000 2.031 299 C HN 0.603 nan 8.230 nan 0.000 0.474 300 D N 0.639 121.056 120.400 0.029 0.000 2.144 300 D HA -0.070 4.571 4.640 0.001 0.000 0.199 300 D C 1.915 178.231 176.300 0.026 0.000 0.984 300 D CA 1.131 55.150 54.000 0.032 0.000 0.834 300 D CB -0.356 40.453 40.800 0.016 0.000 0.955 300 D HN 0.481 nan 8.370 nan 0.000 0.465 301 I N 0.599 121.183 120.570 0.023 0.000 2.179 301 I HA -0.230 3.940 4.170 0.001 0.000 0.242 301 I C 2.490 178.622 176.117 0.025 0.000 1.088 301 I CA 0.692 62.002 61.300 0.018 0.000 1.357 301 I CB -0.123 37.892 38.000 0.025 0.000 1.051 301 I HN -0.042 nan 8.210 nan 0.000 0.409 302 L N 0.520 121.786 121.223 0.072 0.000 2.046 302 L HA -0.241 4.100 4.340 0.001 0.000 0.208 302 L C 2.630 179.547 176.870 0.079 0.000 1.077 302 L CA 1.431 56.344 54.840 0.121 0.000 0.747 302 L CB -0.534 41.671 42.059 0.244 0.000 0.896 302 L HN 0.240 nan 8.230 nan 0.000 0.432 303 K N 0.094 120.548 120.400 0.091 0.000 2.057 303 K HA -0.285 4.035 4.320 0.001 0.000 0.207 303 K C 2.181 178.777 176.600 -0.007 0.000 1.049 303 K CA 1.687 58.021 56.287 0.078 0.000 0.931 303 K CB -0.003 32.552 32.500 0.091 0.000 0.714 303 K HN 0.102 nan 8.250 nan 0.000 0.440 304 Q N 0.854 120.639 119.800 -0.025 0.000 2.077 304 Q HA -0.191 4.150 4.340 0.001 0.000 0.206 304 Q C 1.614 177.528 176.000 -0.145 0.000 0.989 304 Q CA 1.966 57.732 55.803 -0.061 0.000 0.853 304 Q CB 0.057 28.767 28.738 -0.045 0.000 0.907 304 Q HN 0.300 nan 8.270 nan 0.000 0.418 305 E N -0.700 119.367 120.200 -0.221 0.000 2.285 305 E HA -0.066 4.285 4.350 0.001 0.000 0.194 305 E C 0.077 176.188 176.600 -0.814 0.000 0.997 305 E CA 0.699 56.813 56.400 -0.477 0.000 0.845 305 E CB 0.267 29.650 29.700 -0.528 0.000 0.782 305 E HN 0.479 nan 8.360 nan 0.000 0.491 306 H N -0.149 118.703 119.070 -0.363 0.000 2.429 306 H HA 0.164 4.720 4.556 0.001 0.000 0.231 306 H C -1.886 173.308 175.328 -0.223 0.000 1.416 306 H CA -1.486 54.239 56.048 -0.538 0.000 1.443 306 H CB 1.213 30.135 29.762 -1.401 0.000 1.591 306 H HN -0.011 nan 8.280 nan 0.000 0.507 307 P HA -0.099 nan 4.420 nan 0.000 0.230 307 P C 0.705 178.056 177.300 0.086 0.000 1.158 307 P CA 0.848 63.963 63.100 0.026 0.000 0.769 307 P CB 0.436 32.134 31.700 -0.003 0.000 0.807 308 E N -2.131 118.129 120.200 0.100 0.000 2.427 308 E HA -0.057 4.294 4.350 0.001 0.000 0.196 308 E C 0.375 177.178 176.600 0.338 0.000 1.028 308 E CA 0.296 56.806 56.400 0.183 0.000 0.864 308 E CB -0.604 29.212 29.700 0.194 0.000 0.813 308 E HN 0.242 nan 8.360 nan 0.000 0.514 309 W N 1.627 122.980 121.300 0.089 0.000 2.313 309 W HA 0.591 5.251 4.660 0.001 0.000 0.328 309 W C 1.081 177.637 176.519 0.061 0.000 1.197 309 W CA -1.164 56.217 57.345 0.060 0.000 1.235 309 W CB 0.705 30.197 29.460 0.053 0.000 1.158 309 W HN -0.019 nan 8.180 nan 0.000 0.578 310 G N 0.897 109.816 108.800 0.199 0.000 2.535 310 G HA2 0.093 4.054 3.960 0.001 0.000 0.303 310 G HA3 0.093 4.054 3.960 0.001 0.000 0.303 310 G C 0.387 175.366 174.900 0.132 0.000 1.237 310 G CA -0.161 45.017 45.100 0.130 0.000 0.986 310 G HN 0.497 nan 8.290 nan 0.000 0.494 311 D N -0.988 119.489 120.400 0.129 0.000 2.104 311 D HA -0.164 4.476 4.640 0.001 0.000 0.194 311 D C 2.027 178.413 176.300 0.144 0.000 0.994 311 D CA 1.560 55.650 54.000 0.149 0.000 0.830 311 D CB 0.171 41.068 40.800 0.162 0.000 0.959 311 D HN 0.297 nan 8.370 nan 0.000 0.452 312 E N 0.141 120.401 120.200 0.100 0.000 2.038 312 E HA -0.239 4.112 4.350 0.001 0.000 0.195 312 E C 2.061 178.706 176.600 0.075 0.000 1.000 312 E CA 1.038 57.498 56.400 0.100 0.000 0.803 312 E CB -0.508 29.223 29.700 0.051 0.000 0.750 312 E HN 0.549 nan 8.360 nan 0.000 0.448 313 Q N 0.174 119.921 119.800 -0.088 0.000 2.124 313 Q HA -0.107 4.234 4.340 0.001 0.000 0.202 313 Q C 2.456 178.335 176.000 -0.203 0.000 0.977 313 Q CA 0.999 56.605 55.803 -0.327 0.000 0.850 313 Q CB -0.087 28.183 28.738 -0.781 0.000 0.901 313 Q HN 0.220 nan 8.270 nan 0.000 0.429 314 L N -0.198 121.053 121.223 0.046 0.000 2.046 314 L HA -0.166 4.174 4.340 0.001 0.000 0.208 314 L C 2.325 179.301 176.870 0.177 0.000 1.077 314 L CA 1.298 56.274 54.840 0.226 0.000 0.747 314 L CB -0.481 41.746 42.059 0.281 0.000 0.896 314 L HN 0.340 nan 8.230 nan 0.000 0.432 315 F N 0.344 120.335 119.950 0.069 0.000 2.113 315 F HA -0.222 4.306 4.527 0.001 0.000 0.297 315 F C 2.691 178.531 175.800 0.067 0.000 1.103 315 F CA 1.462 59.531 58.000 0.115 0.000 1.248 315 F CB -0.170 38.863 39.000 0.055 0.000 0.999 315 F HN 0.022 nan 8.300 nan 0.000 0.475 316 Q N 0.057 119.834 119.800 -0.038 0.000 2.079 316 Q HA -0.123 4.218 4.340 0.001 0.000 0.200 316 Q C 2.247 178.152 176.000 -0.159 0.000 0.974 316 Q CA 2.132 57.829 55.803 -0.176 0.000 0.840 316 Q CB -1.105 27.627 28.738 -0.010 0.000 0.898 316 Q HN 0.418 nan 8.270 nan 0.000 0.430 317 T N 1.101 115.611 114.554 -0.073 0.000 2.746 317 T HA -0.086 4.265 4.350 0.001 0.000 0.267 317 T C 2.180 176.940 174.700 0.099 0.000 1.039 317 T CA 1.462 63.588 62.100 0.044 0.000 1.142 317 T CB -0.161 68.780 68.868 0.122 0.000 0.866 317 T HN 0.206 nan 8.240 nan 0.000 0.444 318 S N 0.951 116.666 115.700 0.024 0.000 2.370 318 S HA -0.129 4.342 4.470 0.001 0.000 0.226 318 S C 2.077 176.719 174.600 0.069 0.000 1.033 318 S CA 1.177 59.384 58.200 0.011 0.000 1.011 318 S CB -0.282 62.784 63.200 -0.224 0.000 0.852 318 S HN 0.452 nan 8.310 nan 0.000 0.457 319 R N 1.028 121.458 120.500 -0.117 0.000 2.091 319 R HA -0.034 4.306 4.340 0.001 0.000 0.238 319 R C 2.189 178.534 176.300 0.075 0.000 1.136 319 R CA 1.205 57.218 56.100 -0.145 0.000 0.959 319 R CB -0.417 29.446 30.300 -0.729 0.000 0.856 319 R HN 0.352 nan 8.270 nan 0.000 0.437 320 L N 0.435 121.727 121.223 0.116 0.000 2.079 320 L HA -0.211 4.130 4.340 0.001 0.000 0.210 320 L C 2.477 179.590 176.870 0.406 0.000 1.081 320 L CA 1.327 56.353 54.840 0.311 0.000 0.752 320 L CB -0.349 41.938 42.059 0.379 0.000 0.896 320 L HN 0.329 nan 8.230 nan 0.000 0.433 321 I N -0.687 120.085 120.570 0.337 0.000 2.202 321 I HA -0.308 3.863 4.170 0.001 0.000 0.242 321 I C 2.311 178.554 176.117 0.210 0.000 1.091 321 I CA 1.103 62.536 61.300 0.221 0.000 1.368 321 I CB -0.112 38.010 38.000 0.203 0.000 1.058 321 I HN 0.190 nan 8.210 nan 0.000 0.410 322 L N 0.270 121.644 121.223 0.252 0.000 2.201 322 L HA -0.164 4.177 4.340 0.001 0.000 0.212 322 L C 2.253 179.223 176.870 0.166 0.000 1.105 322 L CA 1.676 56.683 54.840 0.278 0.000 0.775 322 L CB -0.557 41.701 42.059 0.331 0.000 0.913 322 L HN 0.171 nan 8.230 nan 0.000 0.440 323 I N -1.009 119.670 120.570 0.182 0.000 2.226 323 I HA -0.229 3.942 4.170 0.001 0.000 0.245 323 I C 2.510 178.727 176.117 0.168 0.000 1.100 323 I CA 1.439 62.833 61.300 0.157 0.000 1.374 323 I CB -0.920 37.198 38.000 0.197 0.000 1.057 323 I HN 0.327 nan 8.210 nan 0.000 0.413 324 G N 0.257 109.191 108.800 0.224 0.000 2.421 324 G HA2 -0.218 3.743 3.960 0.001 0.000 0.216 324 G HA3 -0.218 3.743 3.960 0.001 0.000 0.216 324 G C 1.512 176.522 174.900 0.183 0.000 1.171 324 G CA 0.581 45.832 45.100 0.251 0.000 0.775 324 G HN 0.399 nan 8.290 nan 0.000 0.543 325 E N -0.075 120.247 120.200 0.203 0.000 2.058 325 E HA -0.132 4.219 4.350 0.001 0.000 0.194 325 E C 2.786 179.541 176.600 0.259 0.000 0.997 325 E CA 1.574 58.126 56.400 0.254 0.000 0.801 325 E CB -0.334 29.593 29.700 0.379 0.000 0.746 325 E HN 0.349 nan 8.360 nan 0.000 0.450 326 T N 1.573 116.263 114.554 0.227 0.000 2.708 326 T HA -0.136 4.215 4.350 0.001 0.000 0.266 326 T C 2.014 176.722 174.700 0.014 0.000 1.037 326 T CA 0.976 63.175 62.100 0.165 0.000 1.146 326 T CB -0.201 68.642 68.868 -0.042 0.000 0.865 326 T HN 0.123 nan 8.240 nan 0.000 0.435 327 I N 0.783 121.287 120.570 -0.111 0.000 2.286 327 I HA -0.168 4.003 4.170 0.001 0.000 0.248 327 I C 2.553 178.308 176.117 -0.603 0.000 1.115 327 I CA 1.117 62.187 61.300 -0.384 0.000 1.392 327 I CB -0.294 37.354 38.000 -0.588 0.000 1.065 327 I HN 0.154 nan 8.210 nan 0.000 0.418 328 K N 1.942 122.049 120.400 -0.488 0.000 2.002 328 K HA -0.140 4.180 4.320 0.001 0.000 0.209 328 K C 1.881 178.469 176.600 -0.020 0.000 1.048 328 K CA 1.800 57.984 56.287 -0.171 0.000 0.930 328 K CB -0.371 32.204 32.500 0.124 0.000 0.714 328 K HN 0.235 nan 8.250 nan 0.000 0.438 329 I N 0.121 120.716 120.570 0.042 0.000 2.315 329 I HA -0.217 3.953 4.170 0.001 0.000 0.248 329 I C 2.020 178.168 176.117 0.051 0.000 1.117 329 I CA 0.728 62.077 61.300 0.083 0.000 1.404 329 I CB -0.116 37.993 38.000 0.181 0.000 1.071 329 I HN -0.012 nan 8.210 nan 0.000 0.419 330 V N 1.126 121.016 119.914 -0.040 0.000 2.358 330 V HA -0.254 3.866 4.120 0.001 0.000 0.246 330 V C 2.254 178.396 176.094 0.080 0.000 1.047 330 V CA 1.823 64.058 62.300 -0.109 0.000 1.035 330 V CB -0.274 31.315 31.823 -0.390 0.000 0.658 330 V HN 0.317 nan 8.190 nan 0.000 0.452 331 I N -0.511 120.072 120.570 0.023 0.000 2.286 331 I HA -0.155 4.016 4.170 0.001 0.000 0.245 331 I C 2.399 178.577 176.117 0.102 0.000 1.104 331 I CA 1.500 62.849 61.300 0.082 0.000 1.397 331 I CB -0.205 37.833 38.000 0.064 0.000 1.072 331 I HN 0.321 nan 8.210 nan 0.000 0.417 332 E N -0.035 120.218 120.200 0.089 0.000 2.340 332 E HA -0.084 4.267 4.350 0.001 0.000 0.194 332 E C 1.042 177.695 176.600 0.089 0.000 0.996 332 E CA 0.479 56.924 56.400 0.075 0.000 0.869 332 E CB 0.356 30.099 29.700 0.071 0.000 0.835 332 E HN 0.447 nan 8.360 nan 0.000 0.493 333 D N -0.717 119.771 120.400 0.147 0.000 2.856 333 D HA -0.044 4.597 4.640 0.001 0.000 0.283 333 D C 1.477 178.035 176.300 0.430 0.000 1.051 333 D CA 0.275 54.410 54.000 0.224 0.000 0.965 333 D CB -0.161 40.725 40.800 0.142 0.000 1.201 333 D HN 0.047 nan 8.370 nan 0.000 0.474 334 Y N 2.444 122.891 120.300 0.245 0.000 2.084 334 Y HA -0.180 4.371 4.550 0.001 0.000 0.279 334 Y C 2.276 178.264 175.900 0.146 0.000 1.119 334 Y CA 1.487 59.610 58.100 0.039 0.000 1.101 334 Y CB -0.479 37.850 38.460 -0.217 0.000 0.989 334 Y HN -0.283 nan 8.280 nan 0.000 0.484 335 V N 0.889 120.983 119.914 0.300 0.000 2.392 335 V HA -0.325 3.796 4.120 0.001 0.000 0.249 335 V C 2.331 178.422 176.094 -0.006 0.000 1.059 335 V CA 2.105 64.494 62.300 0.150 0.000 1.051 335 V CB -0.918 31.029 31.823 0.206 0.000 0.658 335 V HN 0.466 nan 8.190 nan 0.000 0.455 336 Q N 0.802 120.627 119.800 0.042 0.000 2.062 336 Q HA -0.305 4.036 4.340 0.001 0.000 0.209 336 Q C 2.142 178.099 176.000 -0.072 0.000 0.996 336 Q CA 2.800 58.593 55.803 -0.016 0.000 0.859 336 Q CB -0.683 28.081 28.738 0.043 0.000 0.920 336 Q HN 0.867 nan 8.270 nan 0.000 0.415 337 H N -1.052 117.967 119.070 -0.085 0.000 2.389 337 H HA -0.067 4.490 4.556 0.001 0.000 0.299 337 H C 1.560 176.698 175.328 -0.315 0.000 1.081 337 H CA 1.530 57.484 56.048 -0.156 0.000 1.345 337 H CB -0.269 29.447 29.762 -0.077 0.000 1.393 337 H HN 0.326 nan 8.280 nan 0.000 0.520 338 L N 0.650 121.555 121.223 -0.530 0.000 2.056 338 L HA -0.134 4.207 4.340 0.001 0.000 0.207 338 L C 2.767 179.298 176.870 -0.565 0.000 1.078 338 L CA 1.965 56.415 54.840 -0.649 0.000 0.749 338 L CB -1.143 40.726 42.059 -0.316 0.000 0.901 338 L HN 0.598 nan 8.230 nan 0.000 0.433 339 S N -0.891 114.515 115.700 -0.490 0.000 2.382 339 S HA -0.032 4.439 4.470 0.001 0.000 0.228 339 S C 1.799 176.090 174.600 -0.514 0.000 1.027 339 S CA 0.923 58.705 58.200 -0.696 0.000 0.991 339 S CB -0.850 61.619 63.200 -1.219 0.000 0.823 339 S HN 0.655 nan 8.310 nan 0.000 0.469 340 G N -0.164 108.388 108.800 -0.414 0.000 2.168 340 G HA2 -0.262 3.698 3.960 0.001 0.000 0.263 340 G HA3 -0.262 3.698 3.960 0.001 0.000 0.263 340 G C -0.074 174.682 174.900 -0.240 0.000 0.977 340 G CA 0.434 45.352 45.100 -0.304 0.000 0.659 340 G HN 0.525 nan 8.290 nan 0.000 0.533 341 Y N -0.065 120.049 120.300 -0.310 0.000 2.480 341 Y HA 0.359 4.909 4.550 0.001 0.000 0.338 341 Y C 1.763 177.434 175.900 -0.382 0.000 1.220 341 Y CA -0.002 57.872 58.100 -0.377 0.000 1.430 341 Y CB 0.272 38.596 38.460 -0.228 0.000 1.311 341 Y HN 0.324 nan 8.280 nan 0.000 0.575 342 H N 0.849 119.790 119.070 -0.214 0.000 2.525 342 H HA 0.010 4.567 4.556 0.001 0.000 0.275 342 H C 0.066 175.296 175.328 -0.162 0.000 0.984 342 H CA -0.177 55.768 56.048 -0.171 0.000 1.264 342 H CB 0.215 29.922 29.762 -0.091 0.000 1.432 342 H HN 0.407 nan 8.280 nan 0.000 0.549 343 F N 2.724 122.363 119.950 -0.517 0.000 2.538 343 F HA 0.107 4.634 4.527 0.001 0.000 0.371 343 F C 0.348 176.107 175.800 -0.070 0.000 1.087 343 F CA -0.598 57.195 58.000 -0.346 0.000 1.250 343 F CB 0.472 39.035 39.000 -0.729 0.000 1.110 343 F HN -0.225 nan 8.300 nan 0.000 0.570 344 K N 7.901 127.861 120.400 -0.733 0.000 2.273 344 K HA 0.289 4.610 4.320 0.001 0.000 0.287 344 K C -0.491 175.577 176.600 -0.887 0.000 1.089 344 K CA -0.439 55.509 56.287 -0.565 0.000 0.909 344 K CB 0.209 32.542 32.500 -0.278 0.000 1.123 344 K HN 0.729 nan 8.250 nan 0.000 0.473 345 L N 3.422 124.345 121.223 -0.500 0.000 2.483 345 L HA 0.083 4.424 4.340 0.001 0.000 0.276 345 L C 0.416 177.204 176.870 -0.136 0.000 1.213 345 L CA 0.570 55.255 54.840 -0.258 0.000 0.843 345 L CB 0.351 42.402 42.059 -0.014 0.000 1.107 345 L HN 0.529 nan 8.230 nan 0.000 0.487 346 K N 1.985 122.377 120.400 -0.012 0.000 2.427 346 K HA 0.333 4.654 4.320 0.001 0.000 0.252 346 K C -1.335 175.348 176.600 0.139 0.000 0.931 346 K CA -0.747 55.568 56.287 0.046 0.000 0.793 346 K CB 1.661 34.178 32.500 0.028 0.000 1.211 346 K HN 0.263 nan 8.250 nan 0.000 0.426 347 F N 4.327 124.267 119.950 -0.016 0.000 2.368 347 F HA 0.308 4.836 4.527 0.001 0.000 0.362 347 F C -0.882 174.873 175.800 -0.074 0.000 1.137 347 F CA -0.776 57.198 58.000 -0.043 0.000 1.161 347 F CB 0.458 39.448 39.000 -0.015 0.000 1.265 347 F HN 0.431 nan 8.300 nan 0.000 0.530 348 D N 8.334 128.468 120.400 -0.443 0.000 2.319 348 D HA 0.320 4.961 4.640 0.001 0.000 0.237 348 D C -2.289 173.625 176.300 -0.644 0.000 1.353 348 D CA -1.889 51.795 54.000 -0.527 0.000 0.992 348 D CB 1.850 42.524 40.800 -0.211 0.000 1.368 348 D HN 0.155 nan 8.370 nan 0.000 0.564 349 P HA -0.130 nan 4.420 nan 0.000 0.218 349 P C 0.847 177.475 177.300 -1.120 0.000 1.146 349 P CA 1.023 63.546 63.100 -0.963 0.000 0.813 349 P CB 0.352 31.226 31.700 -1.377 0.000 0.778 350 E N -0.567 119.001 120.200 -1.054 0.000 2.204 350 E HA -0.127 4.224 4.350 0.001 0.000 0.195 350 E C 1.773 177.993 176.600 -0.634 0.000 0.990 350 E CA 0.713 56.405 56.400 -1.179 0.000 0.821 350 E CB -0.579 28.947 29.700 -0.289 0.000 0.750 350 E HN 0.345 nan 8.360 nan 0.000 0.477 351 L N 0.382 121.362 121.223 -0.405 0.000 2.362 351 L HA -0.121 4.220 4.340 0.001 0.000 0.219 351 L C 1.959 178.739 176.870 -0.150 0.000 1.134 351 L CA 0.666 55.394 54.840 -0.187 0.000 0.807 351 L CB -0.139 41.841 42.059 -0.130 0.000 0.927 351 L HN 0.161 nan 8.230 nan 0.000 0.447 352 L N -2.194 118.893 121.223 -0.228 0.000 2.693 352 L HA 0.097 4.438 4.340 0.001 0.000 0.235 352 L C 1.897 178.902 176.870 0.226 0.000 1.127 352 L CA -0.080 54.713 54.840 -0.079 0.000 0.914 352 L CB -0.028 41.875 42.059 -0.260 0.000 1.193 352 L HN 0.162 nan 8.230 nan 0.000 0.502 353 F N 1.447 121.460 119.950 0.104 0.000 2.259 353 F HA -0.139 4.389 4.527 0.001 0.000 0.298 353 F C 1.655 177.534 175.800 0.131 0.000 1.088 353 F CA 0.514 58.604 58.000 0.150 0.000 1.358 353 F CB 0.072 39.156 39.000 0.141 0.000 1.040 353 F HN 0.395 nan 8.300 nan 0.000 0.505 354 N N -0.040 118.836 118.700 0.293 0.000 2.376 354 N HA 0.103 4.843 4.740 0.001 0.000 0.249 354 N C -0.624 174.979 175.510 0.154 0.000 1.140 354 N CA -0.042 53.125 53.050 0.195 0.000 0.870 354 N CB 0.191 38.774 38.487 0.160 0.000 1.124 354 N HN 0.183 nan 8.380 nan 0.000 0.505 355 Q N -0.122 119.780 119.800 0.170 0.000 2.451 355 Q HA 0.390 4.731 4.340 0.001 0.000 0.281 355 Q C -1.270 174.824 176.000 0.156 0.000 1.099 355 Q CA -0.554 55.329 55.803 0.133 0.000 0.806 355 Q CB 1.866 30.662 28.738 0.095 0.000 1.419 355 Q HN 0.285 nan 8.270 nan 0.000 0.427 356 Q N 1.555 121.436 119.800 0.135 0.000 2.295 356 Q HA 0.546 4.886 4.340 0.001 0.000 0.259 356 Q C -1.276 174.838 176.000 0.189 0.000 0.976 356 Q CA 0.002 55.884 55.803 0.131 0.000 0.923 356 Q CB 0.752 29.542 28.738 0.087 0.000 1.185 356 Q HN 0.519 nan 8.270 nan 0.000 0.410 357 F N 1.165 121.070 119.950 -0.075 0.000 2.690 357 F HA 0.143 4.670 4.527 0.001 0.000 0.311 357 F C -1.658 173.970 175.800 -0.285 0.000 1.111 357 F CA -0.809 57.076 58.000 -0.192 0.000 1.003 357 F CB 1.611 40.447 39.000 -0.274 0.000 1.283 357 F HN 0.284 nan 8.300 nan 0.000 0.442 358 Q N 5.285 124.471 119.800 -1.023 0.000 2.368 358 Q HA 0.226 4.566 4.340 0.001 0.000 0.256 358 Q C -1.381 174.191 176.000 -0.715 0.000 0.980 358 Q CA -0.345 55.079 55.803 -0.632 0.000 0.887 358 Q CB 1.183 29.669 28.738 -0.419 0.000 1.221 358 Q HN 0.679 nan 8.270 nan 0.000 0.458 359 Y N 3.207 123.446 120.300 -0.102 0.000 2.532 359 Y HA 0.066 4.616 4.550 0.001 0.000 0.337 359 Y C 0.785 176.673 175.900 -0.020 0.000 1.274 359 Y CA -0.058 58.067 58.100 0.041 0.000 1.817 359 Y CB 0.212 38.765 38.460 0.155 0.000 1.769 359 Y HN 0.429 nan 8.280 nan 0.000 0.447 360 Q N 0.739 120.540 119.800 0.002 0.000 2.666 360 Q HA 0.449 4.789 4.340 0.001 0.000 0.276 360 Q C -2.226 173.736 176.000 -0.064 0.000 0.952 360 Q CA -1.129 54.667 55.803 -0.011 0.000 0.850 360 Q CB 1.713 30.438 28.738 -0.022 0.000 1.512 360 Q HN 0.389 nan 8.270 nan 0.000 0.395 361 N N -0.074 118.597 118.700 -0.048 0.000 2.591 361 N HA 0.697 5.438 4.740 0.001 0.000 0.263 361 N C -2.150 173.307 175.510 -0.088 0.000 1.308 361 N CA -0.529 52.487 53.050 -0.056 0.000 0.837 361 N CB 2.500 40.973 38.487 -0.023 0.000 1.548 361 N HN 0.643 nan 8.380 nan 0.000 0.493 362 R N 2.110 122.555 120.500 -0.091 0.000 2.564 362 R HA 0.508 4.849 4.340 0.001 0.000 0.284 362 R C -1.185 175.135 176.300 0.034 0.000 1.031 362 R CA -0.564 55.431 56.100 -0.175 0.000 0.904 362 R CB 0.711 30.832 30.300 -0.298 0.000 1.199 362 R HN 0.511 nan 8.270 nan 0.000 0.443 363 I N 3.449 124.203 120.570 0.306 0.000 2.533 363 I HA 0.239 4.410 4.170 0.001 0.000 0.284 363 I C 0.511 176.793 176.117 0.274 0.000 1.109 363 I CA -0.009 61.480 61.300 0.315 0.000 1.412 363 I CB 0.648 38.912 38.000 0.439 0.000 1.396 363 I HN 0.710 nan 8.210 nan 0.000 0.543 364 A N 4.747 127.594 122.820 0.045 0.000 2.309 364 A HA 0.307 4.628 4.320 0.001 0.000 0.298 364 A C 1.261 178.752 177.584 -0.156 0.000 1.165 364 A CA -0.208 51.761 52.037 -0.114 0.000 0.821 364 A CB 0.849 19.548 19.000 -0.502 0.000 1.102 364 A HN 0.805 nan 8.150 nan 0.000 0.500 365 S N 1.330 116.966 115.700 -0.107 0.000 2.374 365 S HA -0.209 4.262 4.470 0.001 0.000 0.227 365 S C 1.589 176.066 174.600 -0.205 0.000 1.037 365 S CA 2.475 60.535 58.200 -0.233 0.000 1.024 365 S CB -0.330 62.873 63.200 0.005 0.000 0.861 365 S HN 0.800 nan 8.310 nan 0.000 0.456 366 E N 0.085 120.165 120.200 -0.200 0.000 2.150 366 E HA -0.024 4.326 4.350 0.001 0.000 0.193 366 E C 1.604 178.109 176.600 -0.159 0.000 0.985 366 E CA 0.949 57.226 56.400 -0.205 0.000 0.814 366 E CB -0.346 29.178 29.700 -0.292 0.000 0.752 366 E HN 0.570 nan 8.360 nan 0.000 0.466 367 F N 2.247 121.856 119.950 -0.568 0.000 2.069 367 F HA -0.229 4.299 4.527 0.001 0.000 0.298 367 F C 2.017 177.687 175.800 -0.218 0.000 1.113 367 F CA 1.420 59.205 58.000 -0.360 0.000 1.214 367 F CB -0.695 38.014 39.000 -0.484 0.000 0.978 367 F HN 0.032 nan 8.300 nan 0.000 0.474 368 N N 0.093 118.486 118.700 -0.511 0.000 2.036 368 N HA -0.200 4.541 4.740 0.001 0.000 0.195 368 N C 1.709 176.851 175.510 -0.614 0.000 1.037 368 N CA 2.541 54.832 53.050 -1.264 0.000 0.855 368 N CB -0.648 37.153 38.487 -1.143 0.000 1.033 368 N HN 0.345 nan 8.380 nan 0.000 0.423 369 T N 1.881 116.190 114.554 -0.409 0.000 2.684 369 T HA -0.141 4.210 4.350 0.001 0.000 0.267 369 T C 1.903 176.529 174.700 -0.123 0.000 1.036 369 T CA 1.628 63.477 62.100 -0.419 0.000 1.148 369 T CB -0.374 68.362 68.868 -0.220 0.000 0.863 369 T HN 0.430 nan 8.240 nan 0.000 0.436 370 L N -1.369 119.854 121.223 -0.001 0.000 2.456 370 L HA 0.190 4.531 4.340 0.001 0.000 0.224 370 L C 1.737 178.698 176.870 0.151 0.000 1.148 370 L CA 1.304 56.218 54.840 0.123 0.000 0.825 370 L CB -1.061 41.058 42.059 0.100 0.000 0.937 370 L HN 0.176 nan 8.230 nan 0.000 0.450 371 Y N -0.356 119.842 120.300 -0.169 0.000 2.485 371 Y HA 0.222 4.772 4.550 0.001 0.000 0.260 371 Y C 0.759 176.313 175.900 -0.577 0.000 1.173 371 Y CA -0.372 57.316 58.100 -0.685 0.000 1.252 371 Y CB 0.021 38.050 38.460 -0.719 0.000 1.123 371 Y HN 0.271 nan 8.280 nan 0.000 0.524 372 H N 0.241 119.259 119.070 -0.087 0.000 3.198 372 H HA -0.076 4.481 4.556 0.001 0.000 0.255 372 H C -0.502 174.996 175.328 0.285 0.000 1.729 372 H CA -0.263 55.810 56.048 0.040 0.000 1.495 372 H CB -0.290 29.559 29.762 0.144 0.000 1.807 372 H HN 0.403 nan 8.280 nan 0.000 0.554 373 W N 1.539 122.859 121.300 0.034 0.000 3.066 373 W HA 0.095 4.755 4.660 0.001 0.000 0.442 373 W C 0.758 177.309 176.519 0.053 0.000 0.820 373 W CA -0.842 56.563 57.345 0.100 0.000 2.047 373 W CB -1.191 28.378 29.460 0.181 0.000 0.980 373 W HN 0.655 nan 8.180 nan 0.000 0.825 374 H N 0.384 119.703 119.070 0.415 0.000 2.489 374 H HA -0.097 4.460 4.556 0.001 0.000 0.293 374 H C -0.501 174.985 175.328 0.264 0.000 1.066 374 H CA 1.441 57.675 56.048 0.310 0.000 1.305 374 H CB -1.120 28.806 29.762 0.274 0.000 1.386 374 H HN 0.012 nan 8.280 nan 0.000 0.551 375 P HA -0.160 nan 4.420 nan 0.000 0.221 375 P C 1.176 178.592 177.300 0.193 0.000 1.145 375 P CA 1.039 64.265 63.100 0.210 0.000 0.795 375 P CB 0.010 31.786 31.700 0.128 0.000 0.775 376 L N -1.735 119.617 121.223 0.216 0.000 2.081 376 L HA -0.152 4.189 4.340 0.001 0.000 0.212 376 L C 1.178 178.155 176.870 0.178 0.000 1.080 376 L CA 0.761 55.712 54.840 0.185 0.000 0.754 376 L CB -0.857 41.341 42.059 0.232 0.000 0.893 376 L HN 0.014 nan 8.230 nan 0.000 0.433 377 L N 0.859 122.207 121.223 0.209 0.000 2.456 377 L HA 0.127 4.468 4.340 0.001 0.000 0.272 377 L C -1.910 175.048 176.870 0.148 0.000 1.189 377 L CA -1.509 53.433 54.840 0.170 0.000 0.846 377 L CB -0.115 42.177 42.059 0.387 0.000 1.111 377 L HN -0.098 nan 8.230 nan 0.000 0.475 378 P HA 0.174 nan 4.420 nan 0.000 0.284 378 P C -0.491 176.635 177.300 -0.289 0.000 1.292 378 P CA -0.514 62.384 63.100 -0.337 0.000 0.800 378 P CB 1.185 32.523 31.700 -0.603 0.000 1.188 379 D N -1.108 119.087 120.400 -0.342 0.000 2.149 379 D HA -0.013 4.628 4.640 0.001 0.000 0.201 379 D C 0.812 177.020 176.300 -0.153 0.000 0.972 379 D CA 1.671 55.605 54.000 -0.111 0.000 0.835 379 D CB -0.004 40.716 40.800 -0.133 0.000 0.966 379 D HN 0.527 nan 8.370 nan 0.000 0.476 380 T N -2.274 112.047 114.554 -0.388 0.000 2.896 380 T HA 0.569 4.919 4.350 0.001 0.000 0.297 380 T C -0.728 173.587 174.700 -0.641 0.000 1.108 380 T CA -0.913 60.956 62.100 -0.384 0.000 1.004 380 T CB 1.385 70.153 68.868 -0.166 0.000 1.159 380 T HN -0.221 nan 8.240 nan 0.000 0.499 381 F N 1.999 121.776 119.950 -0.287 0.000 2.385 381 F HA 0.466 4.994 4.527 0.001 0.000 0.360 381 F C 0.407 176.124 175.800 -0.139 0.000 1.122 381 F CA -1.027 56.769 58.000 -0.340 0.000 1.090 381 F CB 0.956 39.370 39.000 -0.977 0.000 1.150 381 F HN 0.420 nan 8.300 nan 0.000 0.472 382 N N 5.425 124.142 118.700 0.028 0.000 2.485 382 N HA 0.446 5.187 4.740 0.001 0.000 0.243 382 N C -0.798 174.652 175.510 -0.100 0.000 0.987 382 N CA -0.200 52.823 53.050 -0.045 0.000 0.940 382 N CB 1.477 39.917 38.487 -0.077 0.000 1.122 382 N HN 0.506 nan 8.380 nan 0.000 0.509 383 I N 1.174 121.636 120.570 -0.180 0.000 2.389 383 I HA 0.157 4.328 4.170 0.001 0.000 0.288 383 I C 1.042 176.983 176.117 -0.292 0.000 0.999 383 I CA -0.431 60.620 61.300 -0.414 0.000 1.129 383 I CB 1.263 38.804 38.000 -0.765 0.000 1.288 383 I HN 0.474 nan 8.210 nan 0.000 0.444 384 E N 2.801 122.887 120.200 -0.189 0.000 3.296 384 E HA -0.331 4.020 4.350 0.001 0.000 0.422 384 E C 0.256 176.838 176.600 -0.030 0.000 1.557 384 E CA 2.140 58.518 56.400 -0.036 0.000 1.302 384 E CB -0.443 29.332 29.700 0.125 0.000 1.497 384 E HN 0.765 nan 8.360 nan 0.000 0.467 385 D N 0.494 120.903 120.400 0.016 0.000 2.213 385 D HA 0.002 4.643 4.640 0.001 0.000 0.205 385 D C 0.465 176.718 176.300 -0.078 0.000 0.961 385 D CA 0.745 54.736 54.000 -0.015 0.000 0.853 385 D CB 0.040 40.848 40.800 0.013 0.000 0.967 385 D HN 0.096 nan 8.370 nan 0.000 0.496 386 Q N 0.700 120.428 119.800 -0.119 0.000 2.368 386 Q HA 0.277 4.618 4.340 0.001 0.000 0.237 386 Q C -0.220 175.551 176.000 -0.381 0.000 0.987 386 Q CA 0.366 55.965 55.803 -0.339 0.000 0.896 386 Q CB 0.980 29.322 28.738 -0.660 0.000 1.241 386 Q HN 0.187 nan 8.270 nan 0.000 0.485 387 E N 1.769 121.707 120.200 -0.437 0.000 2.331 387 E HA 0.233 4.583 4.350 0.001 0.000 0.243 387 E C -1.171 175.273 176.600 -0.260 0.000 0.925 387 E CA -0.255 55.978 56.400 -0.278 0.000 0.760 387 E CB 0.809 30.411 29.700 -0.163 0.000 1.254 387 E HN 0.376 nan 8.360 nan 0.000 0.419 388 Y N 1.168 121.488 120.300 0.032 0.000 2.313 388 Y HA 0.119 4.670 4.550 0.001 0.000 0.332 388 Y C 1.237 177.225 175.900 0.146 0.000 1.071 388 Y CA -0.616 57.553 58.100 0.116 0.000 1.169 388 Y CB 1.056 39.627 38.460 0.186 0.000 1.192 388 Y HN 0.339 nan 8.280 nan 0.000 0.487 389 S N 1.567 117.462 115.700 0.325 0.000 2.608 389 S HA 0.141 4.612 4.470 0.001 0.000 0.261 389 S C 0.857 175.722 174.600 0.443 0.000 1.314 389 S CA -0.542 57.854 58.200 0.326 0.000 0.992 389 S CB 0.376 63.737 63.200 0.268 0.000 0.935 389 S HN 0.565 nan 8.310 nan 0.000 0.564 390 F N 1.098 121.258 119.950 0.349 0.000 2.091 390 F HA -0.066 4.462 4.527 0.001 0.000 0.299 390 F C 2.703 178.658 175.800 0.259 0.000 1.103 390 F CA 1.899 60.131 58.000 0.387 0.000 1.228 390 F CB -0.397 38.777 39.000 0.290 0.000 0.984 390 F HN 0.567 nan 8.300 nan 0.000 0.477 391 K N 0.687 121.328 120.400 0.402 0.000 2.074 391 K HA -0.225 4.095 4.320 0.001 0.000 0.209 391 K C 1.887 178.637 176.600 0.250 0.000 1.048 391 K CA 1.875 58.329 56.287 0.278 0.000 0.926 391 K CB -0.417 32.220 32.500 0.229 0.000 0.713 391 K HN 0.430 nan 8.250 nan 0.000 0.444 392 Q N -1.506 118.466 119.800 0.287 0.000 2.245 392 Q HA -0.062 4.278 4.340 0.001 0.000 0.201 392 Q C 1.874 178.012 176.000 0.230 0.000 0.955 392 Q CA 0.790 56.762 55.803 0.282 0.000 0.870 392 Q CB -0.062 28.909 28.738 0.388 0.000 0.945 392 Q HN 0.176 nan 8.270 nan 0.000 0.461 393 F N 1.096 121.051 119.950 0.007 0.000 2.187 393 F HA 0.085 4.613 4.527 0.001 0.000 0.295 393 F C 0.644 176.303 175.800 -0.234 0.000 1.091 393 F CA 0.286 58.164 58.000 -0.202 0.000 1.308 393 F CB 0.173 38.917 39.000 -0.428 0.000 1.030 393 F HN -0.125 nan 8.300 nan 0.000 0.487 394 L N 0.932 122.036 121.223 -0.200 0.000 2.453 394 L HA -0.034 4.307 4.340 0.001 0.000 0.272 394 L C 0.313 176.893 176.870 -0.483 0.000 1.182 394 L CA -0.256 54.263 54.840 -0.534 0.000 0.858 394 L CB -0.420 41.184 42.059 -0.759 0.000 1.120 394 L HN 0.433 nan 8.230 nan 0.000 0.474 395 Y N 0.485 120.760 120.300 -0.042 0.000 4.236 395 Y HA -0.299 4.251 4.550 0.001 0.000 0.220 395 Y C 0.486 176.391 175.900 0.007 0.000 1.115 395 Y CA 0.150 58.264 58.100 0.024 0.000 1.811 395 Y CB -1.966 36.540 38.460 0.077 0.000 1.581 395 Y HN 0.676 nan 8.280 nan 0.000 0.643 396 N N 1.442 120.140 118.700 -0.004 0.000 2.816 396 N HA 0.217 4.958 4.740 0.001 0.000 0.236 396 N C 0.298 175.757 175.510 -0.086 0.000 1.076 396 N CA -0.337 52.706 53.050 -0.013 0.000 0.902 396 N CB 0.269 38.739 38.487 -0.028 0.000 1.149 396 N HN 0.233 nan 8.380 nan 0.000 0.506 397 N N 0.426 119.120 118.700 -0.010 0.000 2.463 397 N HA -0.020 4.721 4.740 0.001 0.000 0.181 397 N C 1.109 176.613 175.510 -0.009 0.000 1.078 397 N CA 0.298 53.352 53.050 0.007 0.000 0.902 397 N CB 0.330 38.937 38.487 0.199 0.000 0.970 397 N HN 0.361 nan 8.380 nan 0.000 0.451 398 S N 1.574 117.267 115.700 -0.013 0.000 2.365 398 S HA -0.095 4.376 4.470 0.001 0.000 0.225 398 S C 2.030 176.641 174.600 0.017 0.000 1.039 398 S CA 0.802 58.996 58.200 -0.010 0.000 1.033 398 S CB -0.231 62.974 63.200 0.008 0.000 0.887 398 S HN 0.333 nan 8.310 nan 0.000 0.447 399 I N 0.894 121.480 120.570 0.026 0.000 2.194 399 I HA -0.227 3.944 4.170 0.001 0.000 0.246 399 I C 2.364 178.662 176.117 0.303 0.000 1.093 399 I CA 0.979 62.363 61.300 0.139 0.000 1.355 399 I CB -0.429 37.538 38.000 -0.055 0.000 1.046 399 I HN 0.240 nan 8.210 nan 0.000 0.413 400 L N 0.845 122.084 121.223 0.026 0.000 1.976 400 L HA -0.171 4.170 4.340 0.001 0.000 0.209 400 L C 2.330 179.134 176.870 -0.111 0.000 1.071 400 L CA 1.835 56.496 54.840 -0.299 0.000 0.746 400 L CB -0.562 41.200 42.059 -0.495 0.000 0.890 400 L HN 0.110 nan 8.230 nan 0.000 0.432 401 L N -0.539 120.611 121.223 -0.121 0.000 2.127 401 L HA -0.209 4.132 4.340 0.001 0.000 0.211 401 L C 2.524 179.381 176.870 -0.022 0.000 1.089 401 L CA 1.338 56.102 54.840 -0.126 0.000 0.757 401 L CB -0.586 41.373 42.059 -0.167 0.000 0.899 401 L HN 0.416 nan 8.230 nan 0.000 0.434 402 E N -0.050 120.153 120.200 0.005 0.000 2.017 402 E HA -0.223 4.127 4.350 0.001 0.000 0.193 402 E C 2.142 178.682 176.600 -0.100 0.000 0.997 402 E CA 1.691 58.052 56.400 -0.064 0.000 0.804 402 E CB -0.049 29.593 29.700 -0.096 0.000 0.757 402 E HN 0.476 nan 8.360 nan 0.000 0.448 403 H N -0.782 118.381 119.070 0.155 0.000 2.486 403 H HA 0.265 4.821 4.556 0.001 0.000 0.287 403 H C 1.046 176.461 175.328 0.145 0.000 1.010 403 H CA 0.746 56.898 56.048 0.174 0.000 1.324 403 H CB 0.298 30.214 29.762 0.257 0.000 1.446 403 H HN 0.313 nan 8.280 nan 0.000 0.537 404 G N 1.027 109.965 108.800 0.229 0.000 2.758 404 G HA2 -0.221 3.740 3.960 0.001 0.000 0.686 404 G HA3 -0.221 3.740 3.960 0.001 0.000 0.686 404 G C 0.568 175.516 174.900 0.080 0.000 1.389 404 G CA -0.205 44.974 45.100 0.132 0.000 0.845 404 G HN 0.145 nan 8.290 nan 0.000 0.572 405 L N 0.812 122.012 121.223 -0.040 0.000 2.042 405 L HA -0.107 4.233 4.340 0.001 0.000 0.210 405 L C 3.223 180.088 176.870 -0.009 0.000 1.076 405 L CA 3.034 57.811 54.840 -0.106 0.000 0.749 405 L CB -1.772 40.168 42.059 -0.199 0.000 0.893 405 L HN 0.870 nan 8.230 nan 0.000 0.432 406 T N -0.939 113.613 114.554 -0.003 0.000 2.652 406 T HA -0.275 4.076 4.350 0.001 0.000 0.267 406 T C 1.825 176.548 174.700 0.039 0.000 1.039 406 T CA 1.714 63.818 62.100 0.006 0.000 1.153 406 T CB -0.147 68.725 68.868 0.007 0.000 0.863 406 T HN 0.170 nan 8.240 nan 0.000 0.428 407 Q N -0.000 119.849 119.800 0.082 0.000 2.170 407 Q HA -0.000 4.340 4.340 0.001 0.000 0.203 407 Q C 1.816 177.810 176.000 -0.009 0.000 0.976 407 Q CA 1.374 57.218 55.803 0.069 0.000 0.858 407 Q CB -0.638 28.189 28.738 0.148 0.000 0.907 407 Q HN 0.504 nan 8.270 nan 0.000 0.433 408 F N -1.085 118.750 119.950 -0.192 0.000 2.102 408 F HA -0.180 4.347 4.527 0.001 0.000 0.298 408 F C 2.169 177.775 175.800 -0.323 0.000 1.105 408 F CA 1.171 58.929 58.000 -0.402 0.000 1.239 408 F CB -0.551 38.253 39.000 -0.326 0.000 0.991 408 F HN -0.065 nan 8.300 nan 0.000 0.474 409 V N -0.259 119.678 119.914 0.039 0.000 2.295 409 V HA -0.278 3.842 4.120 0.001 0.000 0.246 409 V C 2.157 178.272 176.094 0.036 0.000 1.049 409 V CA 2.050 64.374 62.300 0.040 0.000 1.024 409 V CB -0.605 31.209 31.823 -0.015 0.000 0.648 409 V HN 0.300 nan 8.190 nan 0.000 0.447 410 E N -0.015 120.191 120.200 0.010 0.000 2.085 410 E HA -0.199 4.152 4.350 0.001 0.000 0.194 410 E C 2.430 179.042 176.600 0.019 0.000 0.994 410 E CA 1.706 58.123 56.400 0.029 0.000 0.801 410 E CB -0.221 29.492 29.700 0.021 0.000 0.743 410 E HN 0.487 nan 8.360 nan 0.000 0.453 411 S N 0.020 115.676 115.700 -0.073 0.000 2.368 411 S HA -0.074 4.396 4.470 0.001 0.000 0.224 411 S C 1.517 176.161 174.600 0.073 0.000 1.029 411 S CA 0.717 58.855 58.200 -0.103 0.000 0.988 411 S CB -0.117 62.873 63.200 -0.350 0.000 0.838 411 S HN 0.178 nan 8.310 nan 0.000 0.462 412 F N 2.029 121.990 119.950 0.018 0.000 2.456 412 F HA 0.061 4.589 4.527 0.001 0.000 0.298 412 F C 2.572 178.436 175.800 0.108 0.000 1.104 412 F CA 0.410 58.466 58.000 0.093 0.000 1.435 412 F CB -1.493 37.618 39.000 0.186 0.000 1.078 412 F HN 0.130 nan 8.300 nan 0.000 0.546 413 T N -0.592 114.117 114.554 0.260 0.000 2.915 413 T HA -0.110 4.241 4.350 0.001 0.000 0.269 413 T C 2.160 176.951 174.700 0.152 0.000 1.071 413 T CA 1.007 63.210 62.100 0.171 0.000 1.132 413 T CB -0.037 68.899 68.868 0.113 0.000 0.878 413 T HN 0.201 nan 8.240 nan 0.000 0.479 414 R N 0.537 121.120 120.500 0.139 0.000 2.140 414 R HA 0.155 4.495 4.340 0.001 0.000 0.213 414 R C 1.331 177.686 176.300 0.092 0.000 1.059 414 R CA 0.176 56.336 56.100 0.100 0.000 1.000 414 R CB 0.142 30.482 30.300 0.066 0.000 0.910 414 R HN 0.386 nan 8.270 nan 0.000 0.455 415 Q N 1.765 121.638 119.800 0.121 0.000 2.288 415 Q HA 0.176 4.516 4.340 0.001 0.000 0.258 415 Q C -0.641 175.406 176.000 0.079 0.000 0.957 415 Q CA -0.148 55.705 55.803 0.083 0.000 0.919 415 Q CB 0.914 29.711 28.738 0.098 0.000 1.185 415 Q HN 0.150 nan 8.270 nan 0.000 0.408 416 I N 3.320 123.934 120.570 0.073 0.000 2.575 416 I HA 0.342 4.512 4.170 0.001 0.000 0.285 416 I C -0.325 175.895 176.117 0.171 0.000 1.085 416 I CA -0.010 61.359 61.300 0.115 0.000 1.403 416 I CB 0.835 38.919 38.000 0.141 0.000 1.409 416 I HN 0.848 nan 8.210 nan 0.000 0.557 417 A N 5.255 128.164 122.820 0.148 0.000 2.252 417 A HA 0.717 5.038 4.320 0.001 0.000 0.305 417 A C 0.165 177.854 177.584 0.176 0.000 1.097 417 A CA -0.146 51.989 52.037 0.164 0.000 0.849 417 A CB 0.576 19.645 19.000 0.116 0.000 1.142 417 A HN 0.854 nan 8.150 nan 0.000 0.499 418 G N -0.412 108.489 108.800 0.168 0.000 2.476 418 G HA2 0.477 4.438 3.960 0.001 0.000 0.269 418 G HA3 0.477 4.438 3.960 0.001 0.000 0.269 418 G C 0.102 174.924 174.900 -0.130 0.000 1.195 418 G CA -0.617 44.441 45.100 -0.070 0.000 0.843 418 G HN 0.869 nan 8.290 nan 0.000 0.545 419 R N 0.967 121.327 120.500 -0.233 0.000 2.491 419 R HA 0.239 4.579 4.340 0.001 0.000 0.283 419 R C 0.845 177.067 176.300 -0.130 0.000 1.072 419 R CA -0.468 55.508 56.100 -0.207 0.000 1.048 419 R CB 0.855 31.023 30.300 -0.220 0.000 0.983 419 R HN 0.255 nan 8.270 nan 0.000 0.450 420 V N 3.761 123.604 119.914 -0.119 0.000 2.374 420 V HA 0.071 4.191 4.120 0.001 0.000 0.241 420 V C 1.119 177.196 176.094 -0.029 0.000 1.034 420 V CA 1.511 63.790 62.300 -0.034 0.000 1.037 420 V CB -0.505 31.305 31.823 -0.022 0.000 0.682 420 V HN 0.912 nan 8.190 nan 0.000 0.463 421 A N -0.509 122.298 122.820 -0.022 0.000 2.250 421 A HA 0.529 4.850 4.320 0.001 0.000 0.283 421 A C 1.566 179.109 177.584 -0.068 0.000 1.206 421 A CA 0.551 52.564 52.037 -0.040 0.000 0.840 421 A CB -0.332 18.659 19.000 -0.015 0.000 1.220 421 A HN 1.413 nan 8.150 nan 0.000 0.505 422 G N -2.258 106.502 108.800 -0.066 0.000 2.195 422 G HA2 0.320 4.281 3.960 0.001 0.000 0.246 422 G HA3 0.320 4.281 3.960 0.001 0.000 0.246 422 G C 1.665 176.527 174.900 -0.064 0.000 0.984 422 G CA 0.669 45.727 45.100 -0.070 0.000 0.633 422 G HN 3.050 nan 8.290 nan 0.000 0.525 423 G N -0.651 108.113 108.800 -0.060 0.000 2.758 423 G HA2 0.251 4.212 3.960 0.001 0.000 0.686 423 G HA3 0.251 4.212 3.960 0.001 0.000 0.686 423 G C 0.246 175.121 174.900 -0.041 0.000 1.389 423 G CA 0.379 45.450 45.100 -0.049 0.000 0.845 423 G HN 1.689 nan 8.290 nan 0.000 0.572 424 R N -0.818 119.666 120.500 -0.025 0.000 3.264 424 R HA -0.201 4.140 4.340 0.001 0.000 0.251 424 R C 0.468 176.761 176.300 -0.012 0.000 0.971 424 R CA 1.015 57.107 56.100 -0.014 0.000 0.658 424 R CB -1.217 29.072 30.300 -0.018 0.000 1.095 424 R HN 0.716 nan 8.270 nan 0.000 0.443 425 N N -0.751 117.950 118.700 0.002 0.000 2.142 425 N HA 0.083 4.824 4.740 0.001 0.000 0.233 425 N C -0.909 174.644 175.510 0.071 0.000 1.335 425 N CA 0.016 53.074 53.050 0.013 0.000 0.837 425 N CB 1.189 39.653 38.487 -0.039 0.000 1.238 425 N HN 0.055 nan 8.380 nan 0.000 0.501 426 V N 3.049 123.010 119.914 0.078 0.000 2.427 426 V HA 0.323 4.443 4.120 0.001 0.000 0.268 426 V C -2.026 174.118 176.094 0.083 0.000 1.046 426 V CA -1.280 61.089 62.300 0.115 0.000 0.970 426 V CB 0.888 32.780 31.823 0.115 0.000 1.001 426 V HN 0.082 nan 8.190 nan 0.000 0.476 427 P HA 0.163 nan 4.420 nan 0.000 0.264 427 P C 1.100 178.352 177.300 -0.080 0.000 1.193 427 P CA 0.132 63.242 63.100 0.018 0.000 0.763 427 P CB 0.599 32.311 31.700 0.019 0.000 0.810 428 I N 2.522 123.041 120.570 -0.084 0.000 2.264 428 I HA -0.315 3.856 4.170 0.001 0.000 0.248 428 I C 2.160 178.176 176.117 -0.169 0.000 1.111 428 I CA 1.715 62.960 61.300 -0.090 0.000 1.382 428 I CB -0.582 37.384 38.000 -0.056 0.000 1.060 428 I HN 0.386 nan 8.210 nan 0.000 0.418 429 A N -0.389 122.227 122.820 -0.340 0.000 2.139 429 A HA -0.150 4.171 4.320 0.001 0.000 0.221 429 A C 2.045 179.415 177.584 -0.358 0.000 1.159 429 A CA 1.659 53.405 52.037 -0.485 0.000 0.662 429 A CB -0.368 17.876 19.000 -1.260 0.000 0.796 429 A HN 0.332 nan 8.150 nan 0.000 0.463 430 V N 0.196 119.944 119.914 -0.276 0.000 3.078 430 V HA 0.018 4.139 4.120 0.001 0.000 0.344 430 V C 1.739 177.775 176.094 -0.096 0.000 1.409 430 V CA 0.588 62.797 62.300 -0.151 0.000 1.146 430 V CB -0.074 31.691 31.823 -0.097 0.000 1.126 430 V HN 0.860 nan 8.190 nan 0.000 0.513 431 Q N 0.698 120.455 119.800 -0.072 0.000 2.135 431 Q HA -0.166 4.175 4.340 0.001 0.000 0.204 431 Q C 1.985 177.970 176.000 -0.024 0.000 0.981 431 Q CA 2.155 57.941 55.803 -0.029 0.000 0.856 431 Q CB -0.502 28.224 28.738 -0.020 0.000 0.902 431 Q HN 0.560 nan 8.270 nan 0.000 0.425 432 A N 1.189 123.988 122.820 -0.035 0.000 1.940 432 A HA -0.132 4.189 4.320 0.001 0.000 0.219 432 A C 2.347 179.908 177.584 -0.038 0.000 1.176 432 A CA 1.688 53.709 52.037 -0.027 0.000 0.631 432 A CB -0.767 18.220 19.000 -0.022 0.000 0.814 432 A HN 0.284 nan 8.150 nan 0.000 0.446 433 V N -0.484 119.387 119.914 -0.071 0.000 2.427 433 V HA -0.181 3.939 4.120 0.001 0.000 0.248 433 V C 2.954 179.018 176.094 -0.050 0.000 1.051 433 V CA 1.762 64.000 62.300 -0.102 0.000 1.048 433 V CB -1.114 30.532 31.823 -0.296 0.000 0.666 433 V HN 0.610 nan 8.190 nan 0.000 0.456 434 A N -0.314 122.504 122.820 -0.004 0.000 1.929 434 A HA -0.176 4.145 4.320 0.001 0.000 0.216 434 A C 2.346 179.982 177.584 0.086 0.000 1.176 434 A CA 1.775 53.883 52.037 0.118 0.000 0.628 434 A CB -0.376 18.720 19.000 0.159 0.000 0.816 434 A HN 0.480 nan 8.150 nan 0.000 0.444 435 K N -0.176 120.245 120.400 0.035 0.000 2.057 435 K HA -0.057 4.264 4.320 0.001 0.000 0.206 435 K C 2.144 178.734 176.600 -0.017 0.000 1.050 435 K CA 1.097 57.397 56.287 0.021 0.000 0.935 435 K CB -0.292 32.213 32.500 0.008 0.000 0.715 435 K HN 0.354 nan 8.250 nan 0.000 0.439 436 A N 0.620 123.417 122.820 -0.039 0.000 1.933 436 A HA -0.132 4.189 4.320 0.001 0.000 0.218 436 A C 2.133 179.632 177.584 -0.141 0.000 1.175 436 A CA 1.985 53.983 52.037 -0.064 0.000 0.628 436 A CB -0.551 18.422 19.000 -0.045 0.000 0.814 436 A HN 0.342 nan 8.150 nan 0.000 0.444 437 S N -0.220 115.349 115.700 -0.218 0.000 2.382 437 S HA -0.112 4.359 4.470 0.001 0.000 0.228 437 S C 1.781 176.130 174.600 -0.419 0.000 1.027 437 S CA 1.499 59.381 58.200 -0.530 0.000 0.991 437 S CB -0.448 62.135 63.200 -1.029 0.000 0.823 437 S HN 0.568 nan 8.310 nan 0.000 0.469 438 I N 1.508 121.988 120.570 -0.151 0.000 2.193 438 I HA -0.153 4.018 4.170 0.001 0.000 0.240 438 I C 2.002 178.075 176.117 -0.072 0.000 1.084 438 I CA 1.113 62.403 61.300 -0.017 0.000 1.365 438 I CB -0.405 37.650 38.000 0.091 0.000 1.064 438 I HN 0.155 nan 8.210 nan 0.000 0.410 439 D N 0.575 120.936 120.400 -0.066 0.000 2.117 439 D HA -0.187 4.454 4.640 0.001 0.000 0.197 439 D C 2.218 178.466 176.300 -0.085 0.000 0.987 439 D CA 1.248 55.217 54.000 -0.052 0.000 0.829 439 D CB -0.244 40.537 40.800 -0.033 0.000 0.961 439 D HN 0.426 nan 8.370 nan 0.000 0.460 440 Q N 0.151 119.871 119.800 -0.133 0.000 2.230 440 Q HA -0.012 4.329 4.340 0.001 0.000 0.202 440 Q C 2.244 178.083 176.000 -0.269 0.000 0.963 440 Q CA 0.634 56.346 55.803 -0.151 0.000 0.866 440 Q CB 0.127 28.784 28.738 -0.136 0.000 0.931 440 Q HN 0.066 nan 8.270 nan 0.000 0.452 441 S N 0.594 116.056 115.700 -0.396 0.000 2.370 441 S HA -0.151 4.320 4.470 0.001 0.000 0.226 441 S C 1.767 176.155 174.600 -0.353 0.000 1.033 441 S CA 1.169 58.964 58.200 -0.676 0.000 1.011 441 S CB -0.065 62.802 63.200 -0.555 0.000 0.852 441 S HN 0.335 nan 8.310 nan 0.000 0.457 442 R N 0.939 121.353 120.500 -0.144 0.000 2.062 442 R HA -0.002 4.339 4.340 0.001 0.000 0.229 442 R C 2.427 178.725 176.300 -0.004 0.000 1.128 442 R CA 1.169 57.256 56.100 -0.022 0.000 0.960 442 R CB -0.338 29.966 30.300 0.007 0.000 0.855 442 R HN 0.466 nan 8.270 nan 0.000 0.432 443 E N 0.894 121.079 120.200 -0.025 0.000 2.130 443 E HA -0.209 4.142 4.350 0.001 0.000 0.196 443 E C 1.612 178.234 176.600 0.036 0.000 0.998 443 E CA 1.312 57.718 56.400 0.010 0.000 0.806 443 E CB 0.073 29.775 29.700 0.004 0.000 0.738 443 E HN 0.299 nan 8.360 nan 0.000 0.459 444 M N -0.068 119.535 119.600 0.006 0.000 2.561 444 M HA 0.023 4.504 4.480 0.001 0.000 0.238 444 M C -0.263 176.142 176.300 0.175 0.000 1.131 444 M CA 0.260 55.609 55.300 0.083 0.000 1.046 444 M CB 0.601 33.240 32.600 0.065 0.000 1.532 444 M HN -0.152 nan 8.290 nan 0.000 0.497 445 K N -0.214 120.270 120.400 0.142 0.000 3.125 445 K HA -0.181 4.140 4.320 0.001 0.000 0.268 445 K C -1.192 175.568 176.600 0.267 0.000 1.078 445 K CA 0.587 56.970 56.287 0.160 0.000 0.775 445 K CB -2.694 29.871 32.500 0.108 0.000 1.253 445 K HN 0.283 nan 8.250 nan 0.000 0.486 446 Y N 1.275 121.627 120.300 0.086 0.000 2.702 446 Y HA -0.041 4.509 4.550 0.001 0.000 0.336 446 Y C 1.890 177.882 175.900 0.153 0.000 1.235 446 Y CA 0.099 58.300 58.100 0.168 0.000 1.492 446 Y CB 0.424 38.990 38.460 0.177 0.000 1.308 446 Y HN 0.182 nan 8.280 nan 0.000 0.589 447 Q N 0.869 120.804 119.800 0.226 0.000 2.526 447 Q HA 0.254 4.595 4.340 0.001 0.000 0.207 447 Q C 0.239 176.361 176.000 0.202 0.000 1.078 447 Q CA -0.406 55.435 55.803 0.064 0.000 1.041 447 Q CB 0.465 29.071 28.738 -0.220 0.000 1.228 447 Q HN 0.784 nan 8.270 nan 0.000 0.603 448 S N -0.267 115.492 115.700 0.100 0.000 2.624 448 S HA 0.043 4.514 4.470 0.001 0.000 0.263 448 S C 0.939 175.654 174.600 0.191 0.000 1.287 448 S CA -0.666 57.612 58.200 0.130 0.000 0.990 448 S CB 0.553 63.783 63.200 0.050 0.000 0.950 448 S HN 0.642 nan 8.310 nan 0.000 0.561 449 L N 1.319 122.630 121.223 0.147 0.000 1.997 449 L HA -0.180 4.161 4.340 0.001 0.000 0.216 449 L C 1.962 178.906 176.870 0.124 0.000 1.074 449 L CA 2.122 57.050 54.840 0.147 0.000 0.763 449 L CB -1.449 40.649 42.059 0.066 0.000 0.890 449 L HN 0.752 nan 8.230 nan 0.000 0.434 450 N N -0.411 118.316 118.700 0.045 0.000 2.244 450 N HA -0.146 4.595 4.740 0.001 0.000 0.183 450 N C 1.734 177.232 175.510 -0.020 0.000 1.016 450 N CA 1.157 54.204 53.050 -0.005 0.000 0.866 450 N CB -0.219 38.245 38.487 -0.038 0.000 0.980 450 N HN 0.459 nan 8.380 nan 0.000 0.430 451 E N 0.075 120.252 120.200 -0.039 0.000 2.110 451 E HA -0.142 4.208 4.350 0.001 0.000 0.193 451 E C 1.723 178.245 176.600 -0.130 0.000 0.988 451 E CA 0.889 57.212 56.400 -0.128 0.000 0.804 451 E CB -0.430 29.141 29.700 -0.215 0.000 0.745 451 E HN 0.497 nan 8.360 nan 0.000 0.458 452 Y N 0.788 121.101 120.300 0.022 0.000 2.314 452 Y HA -0.043 4.508 4.550 0.001 0.000 0.293 452 Y C 2.527 178.500 175.900 0.122 0.000 1.129 452 Y CA 0.973 59.128 58.100 0.091 0.000 1.201 452 Y CB -0.066 38.429 38.460 0.058 0.000 0.999 452 Y HN -0.037 nan 8.280 nan 0.000 0.541 453 R N 0.016 120.612 120.500 0.161 0.000 2.073 453 R HA -0.179 4.162 4.340 0.001 0.000 0.234 453 R C 2.176 178.507 176.300 0.052 0.000 1.134 453 R CA 1.663 57.799 56.100 0.060 0.000 0.952 453 R CB -0.223 30.030 30.300 -0.078 0.000 0.850 453 R HN 0.193 nan 8.270 nan 0.000 0.433 454 K N 0.110 120.511 120.400 0.001 0.000 2.063 454 K HA -0.198 4.123 4.320 0.001 0.000 0.208 454 K C 2.087 178.670 176.600 -0.028 0.000 1.048 454 K CA 1.437 57.701 56.287 -0.038 0.000 0.928 454 K CB -0.082 32.370 32.500 -0.080 0.000 0.713 454 K HN -0.121 nan 8.250 nan 0.000 0.442 455 R N 0.187 120.682 120.500 -0.008 0.000 2.127 455 R HA -0.091 4.250 4.340 0.001 0.000 0.238 455 R C 0.585 176.757 176.300 -0.212 0.000 1.134 455 R CA 1.531 57.576 56.100 -0.092 0.000 0.975 455 R CB -0.295 29.973 30.300 -0.053 0.000 0.865 455 R HN 0.147 nan 8.270 nan 0.000 0.447 456 F N 0.278 120.191 119.950 -0.060 0.000 2.837 456 F HA 0.297 4.825 4.527 0.001 0.000 0.298 456 F C 0.410 176.175 175.800 -0.059 0.000 1.161 456 F CA -0.139 57.806 58.000 -0.092 0.000 1.353 456 F CB 0.358 39.300 39.000 -0.096 0.000 0.951 456 F HN -0.098 nan 8.300 nan 0.000 0.508 457 S N 0.670 116.405 115.700 0.058 0.000 3.635 457 S HA -0.182 4.289 4.470 0.001 0.000 0.328 457 S C -0.051 174.578 174.600 0.048 0.000 1.135 457 S CA 0.260 58.498 58.200 0.063 0.000 0.942 457 S CB -1.870 61.406 63.200 0.127 0.000 0.930 457 S HN 0.313 nan 8.310 nan 0.000 0.512 458 L N 0.392 121.628 121.223 0.022 0.000 2.330 458 L HA 0.513 4.853 4.340 0.001 0.000 0.271 458 L C 0.569 177.388 176.870 -0.085 0.000 1.013 458 L CA -0.775 54.044 54.840 -0.034 0.000 0.816 458 L CB 1.075 43.098 42.059 -0.059 0.000 1.287 458 L HN -0.022 nan 8.230 nan 0.000 0.435 459 K N 2.206 122.531 120.400 -0.127 0.000 2.312 459 K HA 0.300 4.621 4.320 0.001 0.000 0.287 459 K C -2.304 174.155 176.600 -0.234 0.000 1.062 459 K CA -1.646 54.559 56.287 -0.136 0.000 0.934 459 K CB 1.041 33.481 32.500 -0.100 0.000 1.027 459 K HN 0.198 nan 8.250 nan 0.000 0.478 460 P HA -0.116 nan 4.420 nan 0.000 0.266 460 P C -0.935 176.254 177.300 -0.185 0.000 1.193 460 P CA 0.447 63.439 63.100 -0.181 0.000 0.770 460 P CB 0.251 31.893 31.700 -0.095 0.000 0.836 461 Y N 0.266 120.519 120.300 -0.077 0.000 2.359 461 Y HA 0.099 4.650 4.550 0.001 0.000 0.330 461 Y C 2.105 177.933 175.900 -0.120 0.000 1.143 461 Y CA 0.217 58.259 58.100 -0.098 0.000 1.318 461 Y CB 0.613 38.995 38.460 -0.130 0.000 1.234 461 Y HN 0.398 nan 8.280 nan 0.000 0.522 462 T N -2.540 112.069 114.554 0.091 0.000 3.022 462 T HA 0.188 4.539 4.350 0.001 0.000 0.250 462 T C 0.180 174.866 174.700 -0.024 0.000 1.060 462 T CA 0.363 62.470 62.100 0.012 0.000 1.013 462 T CB -0.021 68.861 68.868 0.023 0.000 0.982 462 T HN 0.509 nan 8.240 nan 0.000 0.508 463 S N -1.024 114.647 115.700 -0.047 0.000 2.588 463 S HA 0.574 5.044 4.470 0.001 0.000 0.269 463 S C -0.132 174.371 174.600 -0.161 0.000 1.157 463 S CA -0.928 57.225 58.200 -0.078 0.000 0.824 463 S CB 0.282 63.495 63.200 0.022 0.000 1.126 463 S HN -0.060 nan 8.310 nan 0.000 0.464 464 F N 1.099 121.022 119.950 -0.044 0.000 2.216 464 F HA 0.045 4.572 4.527 0.001 0.000 0.300 464 F C 2.525 178.252 175.800 -0.121 0.000 1.085 464 F CA 1.545 59.492 58.000 -0.088 0.000 1.326 464 F CB -0.249 38.723 39.000 -0.047 0.000 1.027 464 F HN 0.698 nan 8.300 nan 0.000 0.497 465 E N -0.183 120.071 120.200 0.091 0.000 2.204 465 E HA -0.215 4.136 4.350 0.001 0.000 0.194 465 E C 2.023 178.589 176.600 -0.056 0.000 0.989 465 E CA 0.821 57.231 56.400 0.018 0.000 0.824 465 E CB -0.185 29.533 29.700 0.030 0.000 0.756 465 E HN 0.507 nan 8.360 nan 0.000 0.477 466 E N 0.637 120.783 120.200 -0.089 0.000 2.208 466 E HA -0.156 4.194 4.350 0.001 0.000 0.193 466 E C 2.071 178.433 176.600 -0.397 0.000 0.988 466 E CA 0.249 56.579 56.400 -0.117 0.000 0.828 466 E CB 0.172 29.879 29.700 0.012 0.000 0.763 466 E HN 0.107 nan 8.360 nan 0.000 0.478 467 L N 0.705 121.562 121.223 -0.610 0.000 2.044 467 L HA -0.105 4.236 4.340 0.001 0.000 0.205 467 L C 2.484 179.101 176.870 -0.422 0.000 1.075 467 L CA 2.581 56.867 54.840 -0.924 0.000 0.747 467 L CB -0.864 40.802 42.059 -0.655 0.000 0.903 467 L HN 0.196 nan 8.230 nan 0.000 0.435 468 T N -3.926 110.499 114.554 -0.215 0.000 3.035 468 T HA 0.230 4.581 4.350 0.001 0.000 0.259 468 T C 1.604 176.249 174.700 -0.091 0.000 1.078 468 T CA 0.552 62.581 62.100 -0.118 0.000 1.132 468 T CB -0.424 68.409 68.868 -0.058 0.000 0.900 468 T HN 0.744 nan 8.240 nan 0.000 0.480 469 G N 1.747 110.496 108.800 -0.086 0.000 2.155 469 G HA2 -0.188 3.773 3.960 0.001 0.000 0.257 469 G HA3 -0.188 3.773 3.960 0.001 0.000 0.257 469 G C -0.133 174.747 174.900 -0.033 0.000 0.983 469 G CA 0.721 45.791 45.100 -0.050 0.000 0.676 469 G HN 1.010 nan 8.290 nan 0.000 0.528 470 E N -2.115 118.066 120.200 -0.031 0.000 2.437 470 E HA 0.816 5.167 4.350 0.001 0.000 0.253 470 E C 0.838 177.430 176.600 -0.013 0.000 0.905 470 E CA -0.803 55.584 56.400 -0.021 0.000 0.871 470 E CB 0.281 29.966 29.700 -0.025 0.000 1.649 470 E HN -0.002 nan 8.360 nan 0.000 0.422 471 K N -0.432 119.961 120.400 -0.012 0.000 2.367 471 K HA 0.127 4.448 4.320 0.001 0.000 0.198 471 K C 1.699 178.291 176.600 -0.014 0.000 1.132 471 K CA 0.444 56.726 56.287 -0.007 0.000 0.941 471 K CB 0.355 32.852 32.500 -0.006 0.000 1.052 471 K HN 0.591 nan 8.250 nan 0.000 0.507 472 E N 1.688 121.877 120.200 -0.018 0.000 2.028 472 E HA -0.100 4.251 4.350 0.001 0.000 0.191 472 E C 2.045 178.627 176.600 -0.030 0.000 0.988 472 E CA 1.146 57.532 56.400 -0.023 0.000 0.799 472 E CB 0.087 29.774 29.700 -0.021 0.000 0.755 472 E HN 0.124 nan 8.360 nan 0.000 0.447 473 M N 0.248 119.832 119.600 -0.027 0.000 2.175 473 M HA -0.101 4.379 4.480 0.001 0.000 0.264 473 M C 2.435 178.712 176.300 -0.037 0.000 1.063 473 M CA 1.234 56.517 55.300 -0.029 0.000 1.119 473 M CB -0.146 32.440 32.600 -0.023 0.000 1.377 473 M HN 0.222 nan 8.290 nan 0.000 0.415 474 A N 0.740 123.548 122.820 -0.021 0.000 1.892 474 A HA -0.155 4.165 4.320 0.001 0.000 0.218 474 A C 2.381 179.905 177.584 -0.101 0.000 1.188 474 A CA 2.205 54.238 52.037 -0.006 0.000 0.631 474 A CB -1.029 17.997 19.000 0.044 0.000 0.822 474 A HN 0.506 nan 8.150 nan 0.000 0.447 475 A N -0.736 122.040 122.820 -0.072 0.000 1.933 475 A HA -0.131 4.189 4.320 0.001 0.000 0.218 475 A C 1.948 179.455 177.584 -0.129 0.000 1.175 475 A CA 1.702 53.686 52.037 -0.088 0.000 0.628 475 A CB -0.393 18.577 19.000 -0.050 0.000 0.814 475 A HN 0.483 nan 8.150 nan 0.000 0.444 476 E N 0.125 120.259 120.200 -0.109 0.000 2.072 476 E HA -0.120 4.231 4.350 0.001 0.000 0.191 476 E C 2.079 178.586 176.600 -0.154 0.000 0.985 476 E CA 0.911 57.249 56.400 -0.104 0.000 0.801 476 E CB -0.489 29.173 29.700 -0.064 0.000 0.750 476 E HN 0.670 nan 8.360 nan 0.000 0.452 477 L N 0.830 121.929 121.223 -0.207 0.000 2.046 477 L HA -0.187 4.154 4.340 0.001 0.000 0.208 477 L C 2.667 179.125 176.870 -0.685 0.000 1.077 477 L CA 1.402 56.069 54.840 -0.287 0.000 0.747 477 L CB -0.385 41.529 42.059 -0.241 0.000 0.896 477 L HN 0.093 nan 8.230 nan 0.000 0.432 478 K N 0.670 120.506 120.400 -0.941 0.000 2.063 478 K HA -0.197 4.123 4.320 0.001 0.000 0.208 478 K C 2.035 178.456 176.600 -0.298 0.000 1.048 478 K CA 1.579 57.383 56.287 -0.804 0.000 0.928 478 K CB -0.204 32.072 32.500 -0.373 0.000 0.713 478 K HN 0.229 nan 8.250 nan 0.000 0.442 479 A N 0.590 123.285 122.820 -0.209 0.000 2.070 479 A HA -0.046 4.274 4.320 0.001 0.000 0.220 479 A C 2.023 179.540 177.584 -0.112 0.000 1.159 479 A CA 1.203 53.169 52.037 -0.117 0.000 0.656 479 A CB -0.384 18.560 19.000 -0.094 0.000 0.800 479 A HN 0.366 nan 8.150 nan 0.000 0.453 480 L N -3.221 117.913 121.223 -0.149 0.000 2.221 480 L HA 0.029 4.370 4.340 0.001 0.000 0.202 480 L C 2.161 178.902 176.870 -0.216 0.000 1.074 480 L CA 0.920 55.641 54.840 -0.199 0.000 0.795 480 L CB -0.149 41.751 42.059 -0.265 0.000 0.960 480 L HN 0.464 nan 8.230 nan 0.000 0.458 481 Y N -1.666 118.597 120.300 -0.062 0.000 2.507 481 Y HA 0.055 4.606 4.550 0.001 0.000 0.263 481 Y C 1.959 177.934 175.900 0.124 0.000 1.093 481 Y CA 0.477 58.623 58.100 0.076 0.000 1.285 481 Y CB 0.691 39.293 38.460 0.237 0.000 1.115 481 Y HN 0.063 nan 8.280 nan 0.000 0.533 482 S N -0.869 114.958 115.700 0.211 0.000 1.619 482 S HA -0.281 4.190 4.470 0.001 0.000 0.235 482 S C -0.047 174.747 174.600 0.324 0.000 0.805 482 S CA 1.832 60.147 58.200 0.192 0.000 1.403 482 S CB -1.178 62.098 63.200 0.127 0.000 1.782 482 S HN 0.526 nan 8.310 nan 0.000 0.524 483 D N 0.323 120.934 120.400 0.352 0.000 2.408 483 D HA 0.576 5.217 4.640 0.001 0.000 0.243 483 D C 0.625 177.011 176.300 0.143 0.000 1.075 483 D CA -0.501 53.642 54.000 0.239 0.000 0.832 483 D CB 1.197 42.076 40.800 0.132 0.000 1.162 483 D HN 0.102 nan 8.370 nan 0.000 0.515 484 I N 3.022 123.478 120.570 -0.190 0.000 2.315 484 I HA -0.214 3.957 4.170 0.001 0.000 0.251 484 I C 1.080 177.025 176.117 -0.286 0.000 1.125 484 I CA 1.566 62.455 61.300 -0.685 0.000 1.392 484 I CB 0.008 37.619 38.000 -0.647 0.000 1.065 484 I HN 0.378 nan 8.210 nan 0.000 0.424 485 D N -0.546 119.784 120.400 -0.117 0.000 2.378 485 D HA 0.011 4.652 4.640 0.001 0.000 0.227 485 D C 1.834 178.123 176.300 -0.019 0.000 1.012 485 D CA 0.573 54.537 54.000 -0.060 0.000 0.905 485 D CB 0.273 41.054 40.800 -0.031 0.000 0.895 485 D HN 0.289 nan 8.370 nan 0.000 0.532 486 V N 0.243 120.161 119.914 0.008 0.000 3.605 486 V HA 0.127 4.248 4.120 0.001 0.000 0.284 486 V C 0.644 176.752 176.094 0.022 0.000 1.386 486 V CA -0.231 62.117 62.300 0.080 0.000 1.053 486 V CB 0.133 32.064 31.823 0.181 0.000 0.857 486 V HN 0.088 nan 8.190 nan 0.000 0.436 487 M N 1.544 121.049 119.600 -0.158 0.000 2.250 487 M HA 0.131 4.612 4.480 0.001 0.000 0.337 487 M C 0.213 176.388 176.300 -0.208 0.000 1.161 487 M CA 0.617 55.649 55.300 -0.447 0.000 1.088 487 M CB -0.079 32.306 32.600 -0.360 0.000 1.639 487 M HN 0.277 nan 8.290 nan 0.000 0.447 488 E N 3.349 123.420 120.200 -0.215 0.000 2.277 488 E HA 0.134 4.485 4.350 0.001 0.000 0.274 488 E C 0.510 177.146 176.600 0.061 0.000 1.022 488 E CA -0.634 55.792 56.400 0.042 0.000 0.853 488 E CB 1.128 30.922 29.700 0.157 0.000 1.086 488 E HN 0.776 nan 8.360 nan 0.000 0.397 489 L N 3.232 124.540 121.223 0.142 0.000 1.970 489 L HA -0.243 4.098 4.340 0.001 0.000 0.212 489 L C 2.056 178.978 176.870 0.086 0.000 1.071 489 L CA 1.961 56.865 54.840 0.108 0.000 0.751 489 L CB -0.746 41.364 42.059 0.086 0.000 0.889 489 L HN 0.709 nan 8.230 nan 0.000 0.432 490 Y N 1.045 121.353 120.300 0.013 0.000 2.097 490 Y HA -0.116 4.435 4.550 0.001 0.000 0.282 490 Y C -0.576 175.332 175.900 0.013 0.000 1.152 490 Y CA 1.878 59.970 58.100 -0.014 0.000 1.136 490 Y CB -1.898 36.525 38.460 -0.063 0.000 0.975 490 Y HN 0.262 nan 8.280 nan 0.000 0.498 491 P HA -0.132 nan 4.420 nan 0.000 0.217 491 P C 1.439 178.642 177.300 -0.162 0.000 1.150 491 P CA 2.358 65.347 63.100 -0.185 0.000 0.832 491 P CB -0.367 31.360 31.700 0.045 0.000 0.787 492 A N -0.364 122.399 122.820 -0.096 0.000 1.933 492 A HA -0.169 4.151 4.320 0.001 0.000 0.218 492 A C 2.241 179.768 177.584 -0.097 0.000 1.175 492 A CA 1.383 53.376 52.037 -0.074 0.000 0.628 492 A CB -1.679 17.303 19.000 -0.029 0.000 0.814 492 A HN 0.114 nan 8.150 nan 0.000 0.444 493 L N -0.635 120.508 121.223 -0.134 0.000 2.012 493 L HA -0.186 4.154 4.340 0.001 0.000 0.210 493 L C 2.327 179.106 176.870 -0.152 0.000 1.073 493 L CA 1.231 55.991 54.840 -0.133 0.000 0.748 493 L CB -0.449 41.531 42.059 -0.132 0.000 0.891 493 L HN 0.376 nan 8.230 nan 0.000 0.431 494 L N -1.407 119.675 121.223 -0.235 0.000 2.478 494 L HA -0.072 4.268 4.340 0.001 0.000 0.223 494 L C 1.912 178.717 176.870 -0.109 0.000 1.140 494 L CA 0.235 54.972 54.840 -0.171 0.000 0.842 494 L CB 0.043 41.963 42.059 -0.233 0.000 0.953 494 L HN 0.113 nan 8.230 nan 0.000 0.452 495 V N -1.024 118.827 119.914 -0.104 0.000 3.645 495 V HA 0.041 4.162 4.120 0.001 0.000 0.275 495 V C 1.122 177.169 176.094 -0.077 0.000 1.356 495 V CA -0.031 62.224 62.300 -0.075 0.000 1.051 495 V CB 0.614 32.403 31.823 -0.057 0.000 0.828 495 V HN 0.321 nan 8.190 nan 0.000 0.441 496 E N 1.820 121.971 120.200 -0.082 0.000 2.415 496 E HA -0.033 4.317 4.350 0.001 0.000 0.262 496 E C 0.377 176.934 176.600 -0.073 0.000 1.038 496 E CA -0.213 56.135 56.400 -0.087 0.000 0.921 496 E CB 0.428 30.103 29.700 -0.042 0.000 0.950 496 E HN 0.285 nan 8.360 nan 0.000 0.438 497 K N 4.965 125.314 120.400 -0.085 0.000 2.436 497 K HA 0.104 4.425 4.320 0.001 0.000 0.282 497 K C -2.325 174.257 176.600 -0.030 0.000 1.044 497 K CA -1.309 54.944 56.287 -0.056 0.000 1.028 497 K CB 0.380 32.849 32.500 -0.053 0.000 0.919 497 K HN 0.238 nan 8.250 nan 0.000 0.474 498 P HA 0.133 nan 4.420 nan 0.000 0.275 498 P C -0.772 176.511 177.300 -0.029 0.000 1.228 498 P CA -0.413 62.662 63.100 -0.042 0.000 0.786 498 P CB 0.594 32.252 31.700 -0.071 0.000 0.927 499 R N 3.285 123.760 120.500 -0.042 0.000 2.802 499 R HA 0.052 4.393 4.340 0.001 0.000 0.264 499 R C -1.908 174.396 176.300 0.006 0.000 0.996 499 R CA -0.594 55.493 56.100 -0.023 0.000 1.123 499 R CB -1.415 28.809 30.300 -0.127 0.000 0.996 499 R HN 0.404 nan 8.270 nan 0.000 0.444 500 P HA -0.093 nan 4.420 nan 0.000 0.258 500 P C -0.857 176.445 177.300 0.004 0.000 1.187 500 P CA 0.769 63.902 63.100 0.054 0.000 0.767 500 P CB 0.249 32.021 31.700 0.119 0.000 0.770 501 D N -0.118 120.260 120.400 -0.037 0.000 2.983 501 D HA -0.218 4.423 4.640 0.001 0.000 0.225 501 D C 0.328 176.551 176.300 -0.128 0.000 1.174 501 D CA 1.431 55.383 54.000 -0.079 0.000 0.831 501 D CB -1.145 39.612 40.800 -0.072 0.000 1.104 501 D HN 0.484 nan 8.370 nan 0.000 0.421 502 A N -0.004 122.737 122.820 -0.131 0.000 2.281 502 A HA 0.668 4.989 4.320 0.001 0.000 0.329 502 A C 1.292 178.696 177.584 -0.299 0.000 1.122 502 A CA -0.378 51.529 52.037 -0.216 0.000 0.850 502 A CB 1.119 20.019 19.000 -0.166 0.000 1.207 502 A HN 0.133 nan 8.150 nan 0.000 0.495 503 I N -1.008 119.259 120.570 -0.504 0.000 2.716 503 I HA 0.129 4.300 4.170 0.001 0.000 0.259 503 I C -0.576 175.231 176.117 -0.516 0.000 1.172 503 I CA 0.657 61.568 61.300 -0.648 0.000 1.478 503 I CB -0.069 37.304 38.000 -1.045 0.000 1.104 503 I HN 0.470 nan 8.210 nan 0.000 0.439 504 F N -0.117 119.660 119.950 -0.288 0.000 2.575 504 F HA 0.635 5.162 4.527 0.001 0.000 0.330 504 F C 0.860 176.548 175.800 -0.188 0.000 1.056 504 F CA -1.332 56.513 58.000 -0.258 0.000 0.964 504 F CB 0.357 39.192 39.000 -0.276 0.000 1.258 504 F HN -0.238 nan 8.300 nan 0.000 0.484 505 G N -0.501 108.347 108.800 0.080 0.000 2.535 505 G HA2 0.257 4.218 3.960 0.001 0.000 0.303 505 G HA3 0.257 4.218 3.960 0.001 0.000 0.303 505 G C 0.626 175.533 174.900 0.012 0.000 1.237 505 G CA -0.326 44.786 45.100 0.021 0.000 0.986 505 G HN 0.746 nan 8.290 nan 0.000 0.494 506 E N -0.993 119.219 120.200 0.021 0.000 2.085 506 E HA -0.173 4.178 4.350 0.001 0.000 0.194 506 E C 2.240 178.833 176.600 -0.013 0.000 0.994 506 E CA 1.831 58.234 56.400 0.005 0.000 0.801 506 E CB -0.197 29.526 29.700 0.039 0.000 0.743 506 E HN 0.457 nan 8.360 nan 0.000 0.453 507 T N 1.022 115.578 114.554 0.004 0.000 2.708 507 T HA -0.200 4.151 4.350 0.001 0.000 0.266 507 T C 1.751 176.389 174.700 -0.104 0.000 1.037 507 T CA 1.588 63.664 62.100 -0.040 0.000 1.146 507 T CB -0.274 68.601 68.868 0.012 0.000 0.865 507 T HN 0.189 nan 8.240 nan 0.000 0.435 508 M N 1.309 120.839 119.600 -0.116 0.000 2.080 508 M HA -0.082 4.399 4.480 0.001 0.000 0.260 508 M C 2.101 178.294 176.300 -0.180 0.000 1.068 508 M CA 1.477 56.650 55.300 -0.211 0.000 1.109 508 M CB -0.638 31.710 32.600 -0.420 0.000 1.342 508 M HN 0.068 nan 8.290 nan 0.000 0.405 509 V N 0.246 120.101 119.914 -0.099 0.000 2.261 509 V HA -0.221 3.899 4.120 0.001 0.000 0.246 509 V C 2.436 178.513 176.094 -0.029 0.000 1.047 509 V CA 1.928 64.219 62.300 -0.016 0.000 1.015 509 V CB -0.942 30.891 31.823 0.017 0.000 0.642 509 V HN 0.435 nan 8.190 nan 0.000 0.446 510 E N -0.015 120.149 120.200 -0.060 0.000 2.152 510 E HA -0.062 4.289 4.350 0.001 0.000 0.192 510 E C 2.195 178.665 176.600 -0.217 0.000 0.983 510 E CA 0.843 57.205 56.400 -0.064 0.000 0.818 510 E CB -0.166 29.521 29.700 -0.022 0.000 0.758 510 E HN 0.469 nan 8.360 nan 0.000 0.467 511 L N -0.404 120.577 121.223 -0.402 0.000 2.131 511 L HA 0.019 4.359 4.340 0.001 0.000 0.206 511 L C 2.321 179.010 176.870 -0.302 0.000 1.087 511 L CA 1.328 55.700 54.840 -0.780 0.000 0.767 511 L CB -0.856 40.809 42.059 -0.656 0.000 0.917 511 L HN 0.159 nan 8.230 nan 0.000 0.441 512 G N -0.246 108.523 108.800 -0.051 0.000 2.396 512 G HA2 -0.122 3.839 3.960 0.001 0.000 0.214 512 G HA3 -0.122 3.839 3.960 0.001 0.000 0.214 512 G C 1.814 176.808 174.900 0.157 0.000 1.166 512 G CA 0.723 45.942 45.100 0.199 0.000 0.793 512 G HN 0.405 nan 8.290 nan 0.000 0.533 513 A N 1.735 124.598 122.820 0.072 0.000 1.883 513 A HA 0.030 4.350 4.320 0.001 0.000 0.217 513 A C 0.758 178.353 177.584 0.019 0.000 1.186 513 A CA 2.104 54.195 52.037 0.090 0.000 0.624 513 A CB -1.186 17.862 19.000 0.081 0.000 0.822 513 A HN 0.386 nan 8.150 nan 0.000 0.444 514 P HA -0.098 nan 4.420 nan 0.000 0.215 514 P C 1.223 178.397 177.300 -0.209 0.000 1.157 514 P CA 1.017 64.015 63.100 -0.170 0.000 0.863 514 P CB -0.233 31.306 31.700 -0.268 0.000 0.787 515 F N -0.371 119.416 119.950 -0.272 0.000 2.134 515 F HA -0.180 4.347 4.527 0.001 0.000 0.299 515 F C 2.753 178.170 175.800 -0.637 0.000 1.097 515 F CA 1.361 58.972 58.000 -0.648 0.000 1.264 515 F CB -0.888 37.269 39.000 -1.406 0.000 1.001 515 F HN -0.035 nan 8.300 nan 0.000 0.479 516 S N 0.695 116.293 115.700 -0.170 0.000 2.348 516 S HA -0.153 4.318 4.470 0.001 0.000 0.221 516 S C 1.984 176.687 174.600 0.170 0.000 1.033 516 S CA 1.195 59.524 58.200 0.215 0.000 1.010 516 S CB -0.478 63.000 63.200 0.464 0.000 0.891 516 S HN 0.317 nan 8.310 nan 0.000 0.442 517 L N 0.840 122.137 121.223 0.123 0.000 2.141 517 L HA 0.025 4.366 4.340 0.001 0.000 0.209 517 L C 2.882 179.837 176.870 0.142 0.000 1.094 517 L CA 0.947 55.863 54.840 0.126 0.000 0.763 517 L CB -0.392 41.726 42.059 0.097 0.000 0.908 517 L HN 0.222 nan 8.230 nan 0.000 0.437 518 K N 0.485 120.951 120.400 0.109 0.000 2.097 518 K HA -0.082 4.239 4.320 0.001 0.000 0.205 518 K C 1.991 178.662 176.600 0.119 0.000 1.050 518 K CA 1.405 57.778 56.287 0.143 0.000 0.938 518 K CB -0.345 32.179 32.500 0.041 0.000 0.718 518 K HN 0.360 nan 8.250 nan 0.000 0.442 519 G N 0.647 109.475 108.800 0.048 0.000 2.464 519 G HA2 -0.141 3.820 3.960 0.001 0.000 0.217 519 G HA3 -0.141 3.820 3.960 0.001 0.000 0.217 519 G C 1.437 176.383 174.900 0.076 0.000 1.138 519 G CA 0.073 45.170 45.100 -0.005 0.000 0.793 519 G HN 0.098 nan 8.290 nan 0.000 0.539 520 L N 0.342 121.645 121.223 0.134 0.000 2.023 520 L HA 0.190 4.530 4.340 0.001 0.000 0.205 520 L C 2.765 179.735 176.870 0.166 0.000 1.073 520 L CA 1.246 56.169 54.840 0.139 0.000 0.745 520 L CB -0.725 41.407 42.059 0.123 0.000 0.900 520 L HN 0.147 nan 8.230 nan 0.000 0.435 521 M N -1.223 118.501 119.600 0.207 0.000 2.476 521 M HA 0.123 4.604 4.480 0.001 0.000 0.262 521 M C 2.091 178.666 176.300 0.458 0.000 1.111 521 M CA 0.867 56.312 55.300 0.242 0.000 1.127 521 M CB -1.589 31.023 32.600 0.020 0.000 1.376 521 M HN 0.262 nan 8.290 nan 0.000 0.465 522 G N 0.762 109.829 108.800 0.445 0.000 2.484 522 G HA2 -0.154 3.807 3.960 0.001 0.000 0.218 522 G HA3 -0.154 3.807 3.960 0.001 0.000 0.218 522 G C 0.898 176.001 174.900 0.338 0.000 1.130 522 G CA -0.077 45.260 45.100 0.395 0.000 0.784 522 G HN 0.449 nan 8.290 nan 0.000 0.543 523 N N 1.244 120.096 118.700 0.252 0.000 2.293 523 N HA -0.019 4.722 4.740 0.001 0.000 0.253 523 N C -1.058 174.547 175.510 0.157 0.000 1.248 523 N CA -0.782 52.371 53.050 0.172 0.000 0.845 523 N CB 1.695 40.278 38.487 0.160 0.000 1.073 523 N HN -0.012 nan 8.380 nan 0.000 0.464 524 P HA -0.130 nan 4.420 nan 0.000 0.220 524 P C 1.445 178.551 177.300 -0.324 0.000 1.148 524 P CA 1.143 64.103 63.100 -0.233 0.000 0.803 524 P CB -0.193 31.230 31.700 -0.462 0.000 0.782 525 I N -3.650 116.877 120.570 -0.072 0.000 3.083 525 I HA -0.089 4.082 4.170 0.001 0.000 0.273 525 I C 1.424 177.828 176.117 0.478 0.000 1.297 525 I CA 1.122 62.598 61.300 0.294 0.000 1.452 525 I CB -1.163 37.193 38.000 0.594 0.000 1.078 525 I HN -0.164 nan 8.210 nan 0.000 0.484 526 C N 1.288 120.735 119.300 0.245 0.000 2.696 526 C HA 0.197 4.657 4.460 0.001 0.000 0.264 526 C C 1.732 176.754 174.990 0.053 0.000 1.288 526 C CA 0.219 59.332 59.018 0.157 0.000 1.717 526 C CB -1.566 26.311 27.740 0.228 0.000 1.893 526 C HN 0.708 nan 8.230 nan 0.000 0.577 527 S N 1.750 117.330 115.700 -0.199 0.000 2.580 527 S HA 0.228 4.699 4.470 0.001 0.000 0.274 527 S C -1.593 173.006 174.600 -0.002 0.000 1.329 527 S CA -0.645 57.207 58.200 -0.579 0.000 1.036 527 S CB 0.883 63.750 63.200 -0.556 0.000 0.919 527 S HN 0.055 nan 8.310 nan 0.000 0.515 528 P HA -0.155 nan 4.420 nan 0.000 0.216 528 P C 1.508 178.772 177.300 -0.059 0.000 1.157 528 P CA 1.277 64.168 63.100 -0.349 0.000 0.880 528 P CB 0.008 31.375 31.700 -0.554 0.000 0.791 529 Q N -2.334 117.454 119.800 -0.019 0.000 2.437 529 Q HA -0.099 4.241 4.340 0.001 0.000 0.210 529 Q C 1.815 177.776 176.000 -0.064 0.000 0.972 529 Q CA 1.273 57.055 55.803 -0.036 0.000 0.903 529 Q CB -0.495 28.220 28.738 -0.039 0.000 0.967 529 Q HN 0.493 nan 8.270 nan 0.000 0.486 530 Y N -2.165 118.138 120.300 0.006 0.000 2.441 530 Y HA 0.008 4.559 4.550 0.001 0.000 0.288 530 Y C 1.114 177.080 175.900 0.109 0.000 1.118 530 Y CA -0.221 57.892 58.100 0.022 0.000 1.215 530 Y CB 0.343 38.860 38.460 0.094 0.000 1.118 530 Y HN 0.174 nan 8.280 nan 0.000 0.547 531 W N 4.847 126.289 121.300 0.237 0.000 1.606 531 W HA 0.235 4.896 4.660 0.001 0.000 0.455 531 W C -0.791 175.851 176.519 0.204 0.000 0.711 531 W CA 0.087 57.663 57.345 0.385 0.000 1.876 531 W CB -0.521 29.251 29.460 0.521 0.000 1.776 531 W HN 0.067 nan 8.180 nan 0.000 0.229 532 K N 2.541 122.719 120.400 -0.370 0.000 2.562 532 K HA 0.343 4.663 4.320 0.001 0.000 0.267 532 K C -2.627 173.458 176.600 -0.857 0.000 0.938 532 K CA -1.468 54.438 56.287 -0.636 0.000 0.840 532 K CB 1.462 33.789 32.500 -0.287 0.000 1.390 532 K HN -0.285 nan 8.250 nan 0.000 0.428 533 P HA -0.322 nan 4.420 nan 0.000 0.217 533 P C 1.077 178.218 177.300 -0.265 0.000 1.158 533 P CA 2.249 64.981 63.100 -0.615 0.000 0.887 533 P CB 0.008 31.523 31.700 -0.309 0.000 0.792 534 S N -2.260 113.292 115.700 -0.247 0.000 2.423 534 S HA -0.112 4.359 4.470 0.001 0.000 0.231 534 S C 1.871 176.342 174.600 -0.215 0.000 1.014 534 S CA 1.630 59.747 58.200 -0.138 0.000 0.965 534 S CB -1.867 61.264 63.200 -0.115 0.000 0.785 534 S HN 0.137 nan 8.310 nan 0.000 0.495 535 T N 1.727 116.008 114.554 -0.456 0.000 2.803 535 T HA -0.002 4.349 4.350 0.001 0.000 0.269 535 T C 0.554 174.908 174.700 -0.577 0.000 1.052 535 T CA 1.250 62.954 62.100 -0.660 0.000 1.136 535 T CB -0.471 67.754 68.868 -1.072 0.000 0.864 535 T HN 0.634 nan 8.240 nan 0.000 0.467 536 F N 0.010 119.970 119.950 0.016 0.000 2.708 536 F HA 0.477 5.005 4.527 0.001 0.000 0.300 536 F C 1.534 177.435 175.800 0.169 0.000 1.118 536 F CA -0.480 57.589 58.000 0.115 0.000 1.307 536 F CB 0.217 39.313 39.000 0.161 0.000 0.986 536 F HN 0.172 nan 8.300 nan 0.000 0.522 537 G N 0.389 109.358 108.800 0.282 0.000 2.137 537 G HA2 0.140 4.101 3.960 0.001 0.000 0.237 537 G HA3 0.140 4.101 3.960 0.001 0.000 0.237 537 G C 0.507 175.590 174.900 0.305 0.000 1.002 537 G CA -0.011 45.306 45.100 0.362 0.000 0.702 537 G HN 1.218 nan 8.290 nan 0.000 0.515 538 G N -1.506 107.411 108.800 0.195 0.000 2.434 538 G HA2 0.242 4.203 3.960 0.001 0.000 0.671 538 G HA3 0.242 4.203 3.960 0.001 0.000 0.671 538 G C 0.336 175.319 174.900 0.138 0.000 1.280 538 G CA 0.476 45.654 45.100 0.130 0.000 0.975 538 G HN 0.464 nan 8.290 nan 0.000 0.510 539 E N -0.685 119.578 120.200 0.105 0.000 2.204 539 E HA -0.062 4.289 4.350 0.001 0.000 0.194 539 E C 2.782 179.476 176.600 0.157 0.000 0.989 539 E CA 1.444 57.936 56.400 0.153 0.000 0.824 539 E CB -0.127 29.634 29.700 0.102 0.000 0.756 539 E HN 0.402 nan 8.360 nan 0.000 0.477 540 V N 0.652 120.629 119.914 0.105 0.000 2.453 540 V HA -0.133 3.987 4.120 0.001 0.000 0.247 540 V C 2.388 178.552 176.094 0.116 0.000 1.048 540 V CA 1.844 64.192 62.300 0.080 0.000 1.049 540 V CB -0.869 30.971 31.823 0.029 0.000 0.672 540 V HN 0.298 nan 8.190 nan 0.000 0.457 541 G N -0.861 108.042 108.800 0.172 0.000 2.418 541 G HA2 -0.277 3.684 3.960 0.001 0.000 0.217 541 G HA3 -0.277 3.684 3.960 0.001 0.000 0.217 541 G C 1.539 176.576 174.900 0.228 0.000 1.158 541 G CA 0.725 45.956 45.100 0.220 0.000 0.771 541 G HN 0.413 nan 8.290 nan 0.000 0.545 542 F N 1.598 121.582 119.950 0.056 0.000 2.171 542 F HA 0.035 4.563 4.527 0.001 0.000 0.300 542 F C 2.499 178.248 175.800 -0.085 0.000 1.090 542 F CA 1.452 59.407 58.000 -0.074 0.000 1.293 542 F CB -0.241 38.742 39.000 -0.028 0.000 1.013 542 F HN 0.167 nan 8.300 nan 0.000 0.486 543 K N 0.347 120.785 120.400 0.063 0.000 2.148 543 K HA -0.140 4.181 4.320 0.001 0.000 0.204 543 K C 2.159 178.744 176.600 -0.025 0.000 1.050 543 K CA 1.445 57.715 56.287 -0.028 0.000 0.942 543 K CB -0.250 32.263 32.500 0.022 0.000 0.724 543 K HN 0.321 nan 8.250 nan 0.000 0.446 544 I N 0.927 121.505 120.570 0.014 0.000 2.286 544 I HA -0.301 3.869 4.170 0.001 0.000 0.248 544 I C 2.136 178.267 176.117 0.023 0.000 1.115 544 I CA 1.173 62.490 61.300 0.028 0.000 1.392 544 I CB -0.205 37.830 38.000 0.058 0.000 1.065 544 I HN 0.194 nan 8.210 nan 0.000 0.418 545 I N 0.710 121.267 120.570 -0.020 0.000 2.163 545 I HA -0.267 3.904 4.170 0.001 0.000 0.240 545 I C 1.986 178.133 176.117 0.050 0.000 1.081 545 I CA 1.332 62.644 61.300 0.019 0.000 1.353 545 I CB -0.515 37.447 38.000 -0.062 0.000 1.054 545 I HN 0.275 nan 8.210 nan 0.000 0.407 546 N N 0.377 119.029 118.700 -0.080 0.000 2.512 546 N HA -0.099 4.642 4.740 0.001 0.000 0.183 546 N C 1.591 177.100 175.510 -0.001 0.000 1.073 546 N CA 1.698 54.715 53.050 -0.055 0.000 0.911 546 N CB -0.176 38.169 38.487 -0.236 0.000 0.964 546 N HN 0.503 nan 8.380 nan 0.000 0.447 547 T N -3.188 111.368 114.554 0.003 0.000 3.054 547 T HA 0.425 4.776 4.350 0.001 0.000 0.255 547 T C 0.756 175.473 174.700 0.027 0.000 1.035 547 T CA -0.403 61.706 62.100 0.014 0.000 0.941 547 T CB 0.269 69.139 68.868 0.003 0.000 1.026 547 T HN 0.095 nan 8.240 nan 0.000 0.533 548 A N 2.003 124.853 122.820 0.050 0.000 2.520 548 A HA 0.575 4.896 4.320 0.001 0.000 0.235 548 A C 0.657 178.265 177.584 0.040 0.000 1.065 548 A CA 0.068 52.138 52.037 0.055 0.000 0.764 548 A CB -0.094 18.971 19.000 0.107 0.000 1.002 548 A HN 1.083 nan 8.150 nan 0.000 0.502 549 S N 0.967 116.670 115.700 0.004 0.000 2.596 549 S HA 0.448 4.919 4.470 0.001 0.000 0.270 549 S C 0.413 174.962 174.600 -0.085 0.000 1.155 549 S CA -0.064 58.118 58.200 -0.030 0.000 0.827 549 S CB 0.559 63.730 63.200 -0.048 0.000 1.130 549 S HN 1.144 nan 8.310 nan 0.000 0.467 550 I N 1.349 121.824 120.570 -0.159 0.000 2.286 550 I HA -0.091 4.080 4.170 0.001 0.000 0.248 550 I C 2.469 178.432 176.117 -0.257 0.000 1.115 550 I CA 2.188 63.336 61.300 -0.253 0.000 1.392 550 I CB -0.572 37.071 38.000 -0.594 0.000 1.065 550 I HN 0.936 nan 8.210 nan 0.000 0.418 551 Q N 0.550 120.195 119.800 -0.258 0.000 2.079 551 Q HA -0.166 4.175 4.340 0.001 0.000 0.200 551 Q C 2.311 178.217 176.000 -0.156 0.000 0.974 551 Q CA 2.552 58.212 55.803 -0.238 0.000 0.840 551 Q CB -0.607 27.994 28.738 -0.227 0.000 0.898 551 Q HN 0.653 nan 8.270 nan 0.000 0.430 552 S N -0.068 115.563 115.700 -0.114 0.000 2.402 552 S HA -0.131 4.339 4.470 0.001 0.000 0.229 552 S C 1.845 176.379 174.600 -0.110 0.000 1.021 552 S CA 1.001 59.149 58.200 -0.087 0.000 0.974 552 S CB -0.605 62.563 63.200 -0.053 0.000 0.800 552 S HN 0.442 nan 8.310 nan 0.000 0.484 553 L N 0.615 121.753 121.223 -0.142 0.000 2.093 553 L HA 0.170 4.511 4.340 0.001 0.000 0.208 553 L C 1.961 178.702 176.870 -0.215 0.000 1.085 553 L CA 1.461 56.176 54.840 -0.208 0.000 0.755 553 L CB -0.543 41.339 42.059 -0.295 0.000 0.904 553 L HN 0.217 nan 8.230 nan 0.000 0.435 554 I N -1.286 119.173 120.570 -0.186 0.000 2.480 554 I HA -0.178 3.993 4.170 0.001 0.000 0.251 554 I C 2.628 178.661 176.117 -0.140 0.000 1.124 554 I CA 1.077 62.273 61.300 -0.173 0.000 1.444 554 I CB -0.758 37.141 38.000 -0.168 0.000 1.098 554 I HN 0.470 nan 8.210 nan 0.000 0.428 555 c N 1.144 119.672 118.600 -0.120 0.000 2.446 555 c HA -0.111 4.459 4.570 0.001 0.000 0.277 555 c C 2.569 176.610 174.090 -0.081 0.000 1.275 555 c CA 0.956 57.234 56.329 -0.085 0.000 1.727 555 c CB -1.224 41.247 42.510 -0.066 0.000 2.010 555 c HN 0.502 nan 8.230 nan 0.000 0.486 556 N N 1.255 119.901 118.700 -0.089 0.000 2.512 556 N HA -0.006 4.735 4.740 0.001 0.000 0.183 556 N C 0.885 176.337 175.510 -0.097 0.000 1.073 556 N CA 0.858 53.860 53.050 -0.080 0.000 0.911 556 N CB -0.372 38.072 38.487 -0.071 0.000 0.964 556 N HN 0.671 nan 8.380 nan 0.000 0.447 557 N N -0.664 117.962 118.700 -0.123 0.000 2.113 557 N HA 0.096 4.836 4.740 0.001 0.000 0.223 557 N C -0.632 174.782 175.510 -0.160 0.000 1.310 557 N CA 0.118 53.080 53.050 -0.147 0.000 0.896 557 N CB 1.970 40.351 38.487 -0.176 0.000 1.097 557 N HN -0.119 nan 8.380 nan 0.000 0.507 558 V N 1.711 121.542 119.914 -0.139 0.000 2.513 558 V HA 0.269 4.390 4.120 0.001 0.000 0.299 558 V C 0.490 176.529 176.094 -0.092 0.000 1.035 558 V CA -1.079 61.144 62.300 -0.129 0.000 0.889 558 V CB 2.572 34.320 31.823 -0.125 0.000 0.988 558 V HN -0.050 nan 8.190 nan 0.000 0.440 559 K N 2.299 122.649 120.400 -0.084 0.000 2.448 559 K HA 0.364 4.685 4.320 0.001 0.000 0.278 559 K C 1.207 177.785 176.600 -0.035 0.000 1.009 559 K CA 1.176 57.429 56.287 -0.056 0.000 0.995 559 K CB 0.303 32.775 32.500 -0.048 0.000 0.917 559 K HN 1.144 nan 8.250 nan 0.000 0.481 560 G N 2.742 111.526 108.800 -0.026 0.000 2.176 560 G HA2 -0.333 3.627 3.960 0.001 0.000 0.253 560 G HA3 -0.333 3.627 3.960 0.001 0.000 0.253 560 G C 0.389 175.283 174.900 -0.010 0.000 0.979 560 G CA -0.076 45.017 45.100 -0.012 0.000 0.641 560 G HN 1.162 nan 8.290 nan 0.000 0.530 561 c N 1.116 119.701 118.600 -0.025 0.000 3.200 561 c HA -0.077 4.494 4.570 0.001 0.000 0.263 561 c C -0.257 173.831 174.090 -0.003 0.000 1.345 561 c CA -0.063 56.251 56.329 -0.026 0.000 2.274 561 c CB -1.760 40.738 42.510 -0.020 0.000 1.459 561 c HN 0.806 nan 8.230 nan 0.000 0.501 562 P HA 0.193 nan 4.420 nan 0.000 0.269 562 P C -0.128 177.202 177.300 0.051 0.000 1.215 562 P CA 0.015 63.134 63.100 0.032 0.000 0.780 562 P CB 0.362 32.069 31.700 0.012 0.000 0.898 563 F N 1.635 121.565 119.950 -0.033 0.000 2.484 563 F HA 0.361 4.889 4.527 0.001 0.000 0.360 563 F C 0.414 176.191 175.800 -0.038 0.000 1.101 563 F CA 0.959 58.936 58.000 -0.038 0.000 1.251 563 F CB 0.657 39.639 39.000 -0.031 0.000 1.132 563 F HN 0.278 nan 8.300 nan 0.000 0.570 564 T N 3.793 117.800 114.554 -0.911 0.000 2.841 564 T HA 0.655 5.006 4.350 0.001 0.000 0.296 564 T C -1.441 172.656 174.700 -1.005 0.000 1.166 564 T CA -0.358 61.308 62.100 -0.723 0.000 1.007 564 T CB 1.472 70.128 68.868 -0.352 0.000 1.253 564 T HN 0.866 nan 8.240 nan 0.000 0.511 565 S N -0.012 115.340 115.700 -0.579 0.000 2.611 565 S HA 0.425 4.896 4.470 0.001 0.000 0.270 565 S C -0.828 173.598 174.600 -0.290 0.000 1.131 565 S CA -0.591 57.311 58.200 -0.497 0.000 0.826 565 S CB 0.282 63.280 63.200 -0.336 0.000 1.095 565 S HN 0.639 nan 8.310 nan 0.000 0.461 566 F N 1.889 121.725 119.950 -0.190 0.000 2.797 566 F HA 0.227 4.754 4.527 0.001 0.000 0.302 566 F C 1.063 176.572 175.800 -0.485 0.000 1.130 566 F CA 0.024 57.865 58.000 -0.264 0.000 1.387 566 F CB 0.199 38.991 39.000 -0.347 0.000 1.107 566 F HN 0.677 nan 8.300 nan 0.000 0.577 567 N N -1.700 116.902 118.700 -0.163 0.000 2.229 567 N HA 0.343 5.084 4.740 0.001 0.000 0.298 567 N C -1.297 174.225 175.510 0.020 0.000 1.114 567 N CA -0.729 52.252 53.050 -0.114 0.000 0.776 567 N CB 1.634 40.097 38.487 -0.040 0.000 1.501 567 N HN -0.246 nan 8.380 nan 0.000 0.474 568 V N 2.244 122.181 119.914 0.038 0.000 2.450 568 V HA 0.016 4.137 4.120 0.001 0.000 0.281 568 V C 0.934 177.066 176.094 0.065 0.000 1.019 568 V CA -0.052 62.286 62.300 0.063 0.000 1.062 568 V CB 0.257 32.110 31.823 0.050 0.000 0.979 568 V HN 0.725 nan 8.190 nan 0.000 0.477 569 Q N 0.000 119.853 119.800 0.089 0.000 2.315 569 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 569 Q CA 0.000 55.846 55.803 0.071 0.000 1.022 569 Q CB 0.000 28.767 28.738 0.048 0.000 1.108 569 Q HN 0.000 nan 8.270 nan 0.000 0.481